5-amino-2-(furan-2-yl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide

C18H17N7O2 — CID 140500870

IUPAC5-amino-2-(furan-2-yl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc3nc(-c4ccco4)nn3c(N)n2)cn1
InChIInChI=1S/C18H17N7O2/c1-10-5-6-12(9-20-10)11(2)21-17(26)13-8-15-23-16(14-4-3-7-27-14)24-25(15)18(19)22-13/h3-9,11H,1-2H3,(H2,19,22)(H,21,26)
InChIKeyFAHXMUSOHLRSLL-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.16
Rot. Bonds4

About 5-amino-2-(furan-2-yl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide

5-amino-2-(furan-2-yl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide (PubChem CID 140500870) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 5-amino-2-(furan-2-yl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-amino-2-(furan-2-yl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
PubChem CID140500870
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name5-amino-2-(furan-2-yl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc3nc(-c4ccco4)nn3c(N)n2)cn1
InChIInChI=1S/C18H17N7O2/c1-10-5-6-12(9-20-10)11(2)21-17(26)13-8-15-23-16(14-4-3-7-27-14)24-25(15)18(19)22-13/h3-9,11H,1-2H3,(H2,19,22)(H,21,26)
InChIKeyFAHXMUSOHLRSLL-UHFFFAOYSA-N
XLogP2.16
TPSA124.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 140500884
2-(furan-2-yl)-7-methyl-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040536
5-amino-N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
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2-(furan-2-yl)-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002496
3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91760968
5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
CID 91261332
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CID 100987523
4-chloro-1,5-dimethyl-N-[1-(6-methyl-3-pyridinyl)ethyl]pyrazole-3-carboxamide
CID 131908447
acetic acid;7-(furan-2-yl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 110170704
2-(furan-2-yl)-7-(4-phenylphenoxy)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002346
2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzaldehyde
CID 86603876
1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 23570263

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(furan-2-yl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide?
The IUPAC name of 5-amino-2-(furan-2-yl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide (CID 140500870) is 5-amino-2-(furan-2-yl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-amino-2-(furan-2-yl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide?
The canonical SMILES for 5-amino-2-(furan-2-yl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide is Cc1ccc(C(C)NC(=O)c2cc3nc(-c4ccco4)nn3c(N)n2)cn1.
What is the InChIKey of 5-amino-2-(furan-2-yl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide?
The InChIKey is FAHXMUSOHLRSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-10-5-6-12(9-20-10)11(2)21-17(26)13-8-15-23-16(14-4-3-7-27-14)24-25(15)18(19)22-13/h3-9,11H,1-2H3,(H2,19,22)(H,21,26).
What are the key properties of 5-amino-2-(furan-2-yl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide?
5-amino-2-(furan-2-yl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(furan-2-yl)-N-[1-(6-methyl-3-pyridinyl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide is sourced from PubChem (CID 140500870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).