N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine

C13H12N6 — CID 61167331

IUPACN-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESc1ccc(CNc2cccnc2-n2cncn2)nc1
InChIInChI=1S/C13H12N6/c1-2-6-15-11(4-1)8-17-12-5-3-7-16-13(12)19-10-14-9-18-19/h1-7,9-10,17H,8H2
InChIKeyOWCZEMVTCLHSKS-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.67
Rot. Bonds4

About N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine

N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 61167331) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID61167331
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC NameN-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESc1ccc(CNc2cccnc2-n2cncn2)nc1
InChIInChI=1S/C13H12N6/c1-2-6-15-11(4-1)8-17-12-5-3-7-16-13(12)19-10-14-9-18-19/h1-7,9-10,17H,8H2
InChIKeyOWCZEMVTCLHSKS-UHFFFAOYSA-N
XLogP1.67
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62762369
N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61166356
N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167896
N-[(3,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819669
3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
CID 61168294
N-(3-phenylpropyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167508
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819670
N-[(4,5-dibromothiophen-2-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 102834829
N-hexyl-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167520
N-[(3-chloro-4-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 106816674
4-bromo-2-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
CID 107737848
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 86793882

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 61167331) is N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine is c1ccc(CNc2cccnc2-n2cncn2)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is OWCZEMVTCLHSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c1-2-6-15-11(4-1)8-17-12-5-3-7-16-13(12)19-10-14-9-18-19/h1-7,9-10,17H,8H2.
What are the key properties of N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 252.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 61167331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).