2-[1-(2-aminoethyl)triazol-4-yl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

C11H14N8 — CID 79821991

IUPAC2-[1-(2-aminoethyl)triazol-4-yl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3cn(CCN)nn3)nc2n1
InChIInChI=1S/C11H14N8/c1-13-9-3-2-7-10(15-9)16-11(14-7)8-6-19(5-4-12)18-17-8/h2-3,6H,4-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyNKBMPGBGQKAMMQ-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.22
Rot. Bonds4

About 2-[1-(2-aminoethyl)triazol-4-yl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

2-[1-(2-aminoethyl)triazol-4-yl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821991) has the molecular formula C11H14N8 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)triazol-4-yl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)triazol-4-yl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821991
Molecular FormulaC11H14N8
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name2-[1-(2-aminoethyl)triazol-4-yl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3cn(CCN)nn3)nc2n1
InChIInChI=1S/C11H14N8/c1-13-9-3-2-7-10(15-9)16-11(14-7)8-6-19(5-4-12)18-17-8/h2-3,6H,4-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyNKBMPGBGQKAMMQ-UHFFFAOYSA-N
XLogP0.22
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethyl)triazol-4-yl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-[1-(2-aminoethyl)triazol-4-yl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821991) is 2-[1-(2-aminoethyl)triazol-4-yl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-[1-(2-aminoethyl)triazol-4-yl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-[1-(2-aminoethyl)triazol-4-yl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(-c3cn(CCN)nn3)nc2n1.
What is the InChIKey of 2-[1-(2-aminoethyl)triazol-4-yl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is NKBMPGBGQKAMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8/c1-13-9-3-2-7-10(15-9)16-11(14-7)8-6-19(5-4-12)18-17-8/h2-3,6H,4-5,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-[1-(2-aminoethyl)triazol-4-yl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-[1-(2-aminoethyl)triazol-4-yl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 258.29 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)triazol-4-yl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).