7-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine

C11H13N7 — CID 114125339

IUPAC7-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2Cc1ncn(C)n1
InChIInChI=1S/C11H13N7/c1-7-3-4-13-10-9(7)15-11(12)18(10)5-8-14-6-17(2)16-8/h3-4,6H,5H2,1-2H3,(H2,12,15)
InChIKeyUFSTUAOIHMPKBE-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.50
Rot. Bonds2

About 7-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine

7-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 114125339) has the molecular formula C11H13N7 and a molecular weight of 243.27 g/mol. Its IUPAC name is 7-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name7-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID114125339
Molecular FormulaC11H13N7
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name7-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2Cc1ncn(C)n1
InChIInChI=1S/C11H13N7/c1-7-3-4-13-10-9(7)15-11(12)18(10)5-8-14-6-17(2)16-8/h3-4,6H,5H2,1-2H3,(H2,12,15)
InChIKeyUFSTUAOIHMPKBE-UHFFFAOYSA-N
XLogP0.50
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 7-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine (CID 114125339) is 7-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 7-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 7-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine is Cc1ccnc2c1nc(N)n2Cc1ncn(C)n1.
What is the InChIKey of 7-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is UFSTUAOIHMPKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7/c1-7-3-4-13-10-9(7)15-11(12)18(10)5-8-14-6-17(2)16-8/h3-4,6H,5H2,1-2H3,(H2,12,15).
What are the key properties of 7-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
7-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 243.27 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 114125339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).