8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine

C94H107Cl10N35O2S5 — CID 165070632

IUPAC8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
SMILESCC1(CN)CCN(c2nc(N)c(Sc3cccc(Cl)c3Cl)c3ncnn23)CC1.CC1(N)CCN(c2nc(N)c(Sc3cccc(Cl)c3Cl)c3ncnn23)CC1.CC1OCC2(CCN(c3nc(N)c(Sc4cccc(Cl)c4Cl)c4ncnn34)CC2)C1N.Nc1nc(N2CCC3(CC2)COCC3N)n2ncnc2c1Sc1cccc(Cl)c1Cl.Nc1nc(N2CCC3(CCCC3N)CC2)n2ncnc2c1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C20H23Cl2N7OS.C20H23Cl2N7S.C19H21Cl2N7OS.C18H21Cl2N7S.C17H19Cl2N7S/c1-11-16(23)20(9-30-11)5-7-28(8-6-20)19-27-17(24)15(18-25-10-26-29(18)19)31-13-4-2-3-12(21)14(13)22;21-12-3-1-4-13(15(12)22)30-16-17(24)27-19(29-18(16)25-11-26-29)28-9-7-20(8-10-28)6-2-5-14(20)23;20-11-2-1-3-12(14(11)21)30-15-16(23)26-18(28-17(15)24-10-25-28)27-6-4-19(5-7-27)9-29-8-13(19)22;1-18(9-21)5-7-26(8-6-18)17-25-15(22)14(16-23-10-24-27(16)17)28-12-4-2-3-11(19)13(12)20;1-17(21)5-7-25(8-6-17)16-24-14(20)13(15-22-9-23-26(15)16)27-11-4-2-3-10(18)12(11)19/h2-4,10-11,16H,5-9,23-24H2,1H3;1,3-4,11,14H,2,5-10,23-24H2;1-3,10,13H,4-9,22-23H2;2-4,10H,5-9,21-22H2,1H3;2-4,9H,5-8,20-21H2,1H3
InChIKeySRQNLYGACWCDRD-UHFFFAOYSA-N
MW2274.00 g/mol
LogP18.08
Rot. Bonds16

About 8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine

8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine (PubChem CID 165070632) has the molecular formula C94H107Cl10N35O2S5 and a molecular weight of 2274.00 g/mol. Its IUPAC name is 8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine.

Molecular Properties

Compound Name8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
PubChem CID165070632
Molecular FormulaC94H107Cl10N35O2S5
Molecular Weight2274.00 g/mol
Exact Mass2267.48
IUPAC Name8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
SMILESCC1(CN)CCN(c2nc(N)c(Sc3cccc(Cl)c3Cl)c3ncnn23)CC1.CC1(N)CCN(c2nc(N)c(Sc3cccc(Cl)c3Cl)c3ncnn23)CC1.CC1OCC2(CCN(c3nc(N)c(Sc4cccc(Cl)c4Cl)c4ncnn34)CC2)C1N.Nc1nc(N2CCC3(CC2)COCC3N)n2ncnc2c1Sc1cccc(Cl)c1Cl.Nc1nc(N2CCC3(CCCC3N)CC2)n2ncnc2c1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C20H23Cl2N7OS.C20H23Cl2N7S.C19H21Cl2N7OS.C18H21Cl2N7S.C17H19Cl2N7S/c1-11-16(23)20(9-30-11)5-7-28(8-6-20)19-27-17(24)15(18-25-10-26-29(18)19)31-13-4-2-3-12(21)14(13)22;21-12-3-1-4-13(15(12)22)30-16-17(24)27-19(29-18(16)25-11-26-29)28-9-7-20(8-10-28)6-2-5-14(20)23;20-11-2-1-3-12(14(11)21)30-15-16(23)26-18(28-17(15)24-10-25-28)27-6-4-19(5-7-27)9-29-8-13(19)22;1-18(9-21)5-7-26(8-6-18)17-25-15(22)14(16-23-10-24-27(16)17)28-12-4-2-3-11(19)13(12)20;1-17(21)5-7-25(8-6-17)16-24-14(20)13(15-22-9-23-26(15)16)27-11-4-2-3-10(18)12(11)19/h2-4,10-11,16H,5-9,23-24H2,1H3;1,3-4,11,14H,2,5-10,23-24H2;1-3,10,13H,4-9,22-23H2;2-4,10H,5-9,21-22H2,1H3;2-4,9H,5-8,20-21H2,1H3
InChIKeySRQNLYGACWCDRD-UHFFFAOYSA-N
XLogP18.08
TPSA510.26 Ų
H-Bond Donors10
H-Bond Acceptors42
Rotatable Bonds16
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002274.00
LogP ≤ 518.08
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1042

Analyze 8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine with MolForge

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Related Compounds

8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 164743555
5-(4-amino-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one;5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 165057669
8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 164743783
8-[7-amino-8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 164743638
6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(2-chloro-3-methylphenyl)sulfanyl-3-methylpyrimidin-4-one
CID 159098812
8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 164743744
(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-2-(fluoromethyl)imidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 164743653
(4R)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;1-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methylpiperidin-4-amine;(3S,4S)-3-methyl-8-[8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[8-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 163527306
(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-2-[(dimethylamino)methyl]-7-methylimidazo[1,2-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 164743715
(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 135257203
8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 164743800
8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-a]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 164743732

Frequently Asked Questions

What is the IUPAC name of 8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The IUPAC name of 8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine (CID 165070632) is 8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine.
What is the SMILES notation for 8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The canonical SMILES for 8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine is CC1(CN)CCN(c2nc(N)c(Sc3cccc(Cl)c3Cl)c3ncnn23)CC1.CC1(N)CCN(c2nc(N)c(Sc3cccc(Cl)c3Cl)c3ncnn23)CC1.CC1OCC2(CCN(c3nc(N)c(Sc4cccc(Cl)c4Cl)c4ncnn34)CC2)C1N.Nc1nc(N2CCC3(CC2)COCC3N)n2ncnc2c1Sc1cccc(Cl)c1Cl.Nc1nc(N2CCC3(CCCC3N)CC2)n2ncnc2c1Sc1cccc(Cl)c1Cl.
What is the InChIKey of 8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The InChIKey is SRQNLYGACWCDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N7OS.C20H23Cl2N7S.C19H21Cl2N7OS.C18H21Cl2N7S.C17H19Cl2N7S/c1-11-16(23)20(9-30-11)5-7-28(8-6-20)19-27-17(24)15(18-25-10-26-29(18)19)31-13-4-2-3-12(21)14(13)22;21-12-3-1-4-13(15(12)22)30-16-17(24)27-19(29-18(16)25-11-26-29)28-9-7-20(8-10-28)6-2-5-14(20)23;20-11-2-1-3-12(14(11)21)30-15-16(23)26-18(28-17(15)24-10-25-28)27-6-4-19(5-7-27)9-29-8-13(19)22;1-18(9-21)5-7-26(8-6-18)17-25-15(22)14(16-23-10-24-27(16)17)28-12-4-2-3-11(19)13(12)20;1-17(21)5-7-25(8-6-17)16-24-14(20)13(15-22-9-23-26(15)16)27-11-4-2-3-10(18)12(11)19/h2-4,10-11,16H,5-9,23-24H2,1H3;1,3-4,11,14H,2,5-10,23-24H2;1-3,10,13H,4-9,22-23H2;2-4,10H,5-9,21-22H2,1H3;2-4,9H,5-8,20-21H2,1H3.
What are the key properties of 8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine has a molecular weight of 2274.00 g/mol, XLogP of 18.08, 16 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;8-[7-amino-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine;5-(4-amino-4-methylpiperidin-1-yl)-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine is sourced from PubChem (CID 165070632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).