N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C32H50N10O2S2 — CID 160946745

IUPACN-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCC3CCCCC3)nc(S(C)(=O)=O)nc12.CSc1nc(NCC2CCCCC2)n2ncc(C(C)C)c2n1
InChIInChI=1S/C16H25N5O2S.C16H25N5S/c1-11(2)13-10-18-21-14(13)19-16(24(3,22)23)20-15(21)17-9-12-7-5-4-6-8-12;1-11(2)13-10-18-21-14(13)19-16(22-3)20-15(21)17-9-12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H,17,19,20);10-12H,4-9H2,1-3H3,(H,17,19,20)
InChIKeySVFJIEPNOBQFTF-UHFFFAOYSA-N
MW670.95 g/mol
LogP6.61
Rot. Bonds10

About N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 160946745) has the molecular formula C32H50N10O2S2 and a molecular weight of 670.95 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID160946745
Molecular FormulaC32H50N10O2S2
Molecular Weight670.95 g/mol
Exact Mass670.36
IUPAC NameN-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCC3CCCCC3)nc(S(C)(=O)=O)nc12.CSc1nc(NCC2CCCCC2)n2ncc(C(C)C)c2n1
InChIInChI=1S/C16H25N5O2S.C16H25N5S/c1-11(2)13-10-18-21-14(13)19-16(24(3,22)23)20-15(21)17-9-12-7-5-4-6-8-12;1-11(2)13-10-18-21-14(13)19-16(22-3)20-15(21)17-9-12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H,17,19,20);10-12H,4-9H2,1-3H3,(H,17,19,20)
InChIKeySVFJIEPNOBQFTF-UHFFFAOYSA-N
XLogP6.61
TPSA144.36 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500670.95
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine with MolForge

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Related Compounds

N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 160946746
4-chloro-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;(4-methylcyclohexyl)methanamine
CID 167551372
3-ethyl-1-[3-[[(2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]hexan-2-one;1-[3-[[(2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]phenyl]octan-2-one
CID 167607423
N-[(2-chloro-5-nitrophenyl)methyl]-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 170599174
2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 122517837
benzyl 4-[[(2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-2,3-dihydroindole-1-carboxylate
CID 170358386
5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 58938308
N-cyclopropyl-2-methyl-4-[2-methylsulfonyl-4-(oxan-4-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide
CID 90176099
N-[[3-(cycloheptylmethyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 159180690
2-methylsulfanyl-N-[[2-[5-[2-methylsulfanyl-4-[(2-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]hexan-2-yloxy]phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123629467
N-[[2-[1-[3-[4-[1-(2-chlorophenyl)ethylamino]-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-yl]butyl]tetrazol-5-yl]phenyl]methyl]-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123429516
N-[2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclohexanecarboxamide
CID 16900924

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 160946745) is N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(NCC3CCCCC3)nc(S(C)(=O)=O)nc12.CSc1nc(NCC2CCCCC2)n2ncc(C(C)C)c2n1.
What is the InChIKey of N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is SVFJIEPNOBQFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2S.C16H25N5S/c1-11(2)13-10-18-21-14(13)19-16(24(3,22)23)20-15(21)17-9-12-7-5-4-6-8-12;1-11(2)13-10-18-21-14(13)19-16(22-3)20-15(21)17-9-12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H,17,19,20);10-12H,4-9H2,1-3H3,(H,17,19,20).
What are the key properties of N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 670.95 g/mol, XLogP of 6.61, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 160946745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).