[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol;7-(3,5-dimethylphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane

C66H74FN17O6 — CID 157378368

IUPAC[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol;7-(3,5-dimethylphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane
SMILESC.C.C.C.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c(F)c1.Cc1cc(C)cc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1.Nc1nc(-c2cccc(CO)c2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C29H30FN7O3.C17H15N5O.C16H13N5O2.4CH4/c1-38-14-15-39-22-7-8-25(23(30)17-22)36-11-9-35(10-12-36)19-20-4-2-5-21(16-20)24-18-27-33-28(26-6-3-13-40-26)34-37(27)29(31)32-24;1-10-6-11(2)8-12(7-10)13-9-15-20-16(14-4-3-5-23-14)21-22(15)17(18)19-13;17-16-18-12(11-4-1-3-10(7-11)9-22)8-14-19-15(20-21(14)16)13-5-2-6-23-13;;;;/h2-8,13,16-18H,9-12,14-15,19H2,1H3,(H2,31,32);3-9H,1-2H3,(H2,18,19);1-8,22H,9H2,(H2,17,18);4*1H4
InChIKeyBKOVLGUONDUQPW-UHFFFAOYSA-N
MW1220.43 g/mol
LogP12.04
Rot. Bonds14

About [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol;7-(3,5-dimethylphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane

[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol;7-(3,5-dimethylphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane (PubChem CID 157378368) has the molecular formula C66H74FN17O6 and a molecular weight of 1220.43 g/mol. Its IUPAC name is [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol;7-(3,5-dimethylphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane.

Molecular Properties

Compound Name[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol;7-(3,5-dimethylphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane
PubChem CID157378368
Molecular FormulaC66H74FN17O6
Molecular Weight1220.43 g/mol
Exact Mass1219.60
IUPAC Name[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol;7-(3,5-dimethylphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane
SMILESC.C.C.C.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c(F)c1.Cc1cc(C)cc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1.Nc1nc(-c2cccc(CO)c2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C29H30FN7O3.C17H15N5O.C16H13N5O2.4CH4/c1-38-14-15-39-22-7-8-25(23(30)17-22)36-11-9-35(10-12-36)19-20-4-2-5-21(16-20)24-18-27-33-28(26-6-3-13-40-26)34-37(27)29(31)32-24;1-10-6-11(2)8-12(7-10)13-9-15-20-16(14-4-3-5-23-14)21-22(15)17(18)19-13;17-16-18-12(11-4-1-3-10(7-11)9-22)8-14-19-15(20-21(14)16)13-5-2-6-23-13;;;;/h2-8,13,16-18H,9-12,14-15,19H2,1H3,(H2,31,32);3-9H,1-2H3,(H2,18,19);1-8,22H,9H2,(H2,17,18);4*1H4
InChIKeyBKOVLGUONDUQPW-UHFFFAOYSA-N
XLogP12.04
TPSA291.89 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001220.43
LogP ≤ 512.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol;7-(3,5-dimethylphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane with MolForge

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Related Compounds

2-(Furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10196061
2-Furan-2-yl-7-(3-{4-[4-(2-methoxy-ethoxy)-2-methyl-phenyl]-piperazin-1-ylmethyl}-phenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10128756
2-Furan-2-yl-7-(3-{4-[3-(2-methoxy-ethoxy)-phenyl]-piperazin-1-ylmethyl}-phenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10152659
2-Furan-2-yl-7-(3-{4-[3-methoxy-4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-ylmethyl}-phenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10152971
7-(3-{4-[3,5-Difluoro-4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-ylmethyl}-phenyl)-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10153014
2-Furan-2-yl-7-(3-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-ylmethyl}-phenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10174757
2-Furan-2-yl-7-[3-(4-phenyl-piperazin-1-ylmethyl)-phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10217008
2-{4-[3-(5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-benzyl]-piperazin-1-yl}-5-(2-methoxy-ethoxy)-benzonitrile
CID 10218340
5-{4-[3-(5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-benzyl]-piperazin-1-yl}-2-(2-methoxy-ethoxy)-benzonitrile
CID 10218341
7-(3-{4-[2-Fluoro-4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-ylmethyl}-phenyl)-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10239666
7-(3-{4-[2,6-Difluoro-4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-ylmethyl}-phenyl)-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 23570294
2-Furan-2-yl-7-(3-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperidin-1-ylmethyl}-phenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 44387828

Frequently Asked Questions

What is the IUPAC name of [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol;7-(3,5-dimethylphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane?
The IUPAC name of [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol;7-(3,5-dimethylphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane (CID 157378368) is [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol;7-(3,5-dimethylphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane.
What is the SMILES notation for [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol;7-(3,5-dimethylphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane?
The canonical SMILES for [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol;7-(3,5-dimethylphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane is C.C.C.C.COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)c(F)c1.Cc1cc(C)cc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1.Nc1nc(-c2cccc(CO)c2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol;7-(3,5-dimethylphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane?
The InChIKey is BKOVLGUONDUQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN7O3.C17H15N5O.C16H13N5O2.4CH4/c1-38-14-15-39-22-7-8-25(23(30)17-22)36-11-9-35(10-12-36)19-20-4-2-5-21(16-20)24-18-27-33-28(26-6-3-13-40-26)34-37(27)29(31)32-24;1-10-6-11(2)8-12(7-10)13-9-15-20-16(14-4-3-5-23-14)21-22(15)17(18)19-13;17-16-18-12(11-4-1-3-10(7-11)9-22)8-14-19-15(20-21(14)16)13-5-2-6-23-13;;;;/h2-8,13,16-18H,9-12,14-15,19H2,1H3,(H2,31,32);3-9H,1-2H3,(H2,18,19);1-8,22H,9H2,(H2,17,18);4*1H4.
What are the key properties of [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol;7-(3,5-dimethylphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane?
[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol;7-(3,5-dimethylphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane has a molecular weight of 1220.43 g/mol, XLogP of 12.04, 14 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]methanol;7-(3,5-dimethylphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[3-[[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane is sourced from PubChem (CID 157378368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).