N-[[4-(aminomethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C15H15N5O — CID 164627634

IUPACN-[[4-(aminomethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESNCc1ccc(CNC(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C15H15N5O/c16-7-11-1-3-12(4-2-11)8-17-15(21)13-5-6-14-19-18-10-20(14)9-13/h1-6,9-10H,7-8,16H2,(H,17,21)
InChIKeyVVXVQDHPMPUPGD-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.12
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[[4-(aminomethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 164627634) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID164627634
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESNCc1ccc(CNC(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C15H15N5O/c16-7-11-1-3-12(4-2-11)8-17-15(21)13-5-6-14-19-18-10-20(14)9-13/h1-6,9-10H,7-8,16H2,(H,17,21)
InChIKeyVVXVQDHPMPUPGD-UHFFFAOYSA-N
XLogP1.12
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 164627634) is N-[[4-(aminomethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is NCc1ccc(CNC(=O)c2ccc3nncn3c2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is VVXVQDHPMPUPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-7-11-1-3-12(4-2-11)8-17-15(21)13-5-6-14-19-18-10-20(14)9-13/h1-6,9-10H,7-8,16H2,(H,17,21).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[[4-(aminomethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 164627634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).