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

C12H11N7 — CID 62762369

IUPACN-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESc1cnc(-n2cncn2)c(NCc2cnccn2)c1
InChIInChI=1S/C12H11N7/c1-2-11(17-7-10-6-13-4-5-15-10)12(16-3-1)19-9-14-8-18-19/h1-6,8-9,17H,7H2
InChIKeyCUISLJBYJQQHQP-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.06
Rot. Bonds4

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

N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 62762369) has the molecular formula C12H11N7 and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID62762369
Molecular FormulaC12H11N7
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC NameN-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESc1cnc(-n2cncn2)c(NCc2cnccn2)c1
InChIInChI=1S/C12H11N7/c1-2-11(17-7-10-6-13-4-5-15-10)12(16-3-1)19-9-14-8-18-19/h1-6,8-9,17H,7H2
InChIKeyCUISLJBYJQQHQP-UHFFFAOYSA-N
XLogP1.06
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167331
N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 62761986
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-(pyrazin-2-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline
CID 62762707
N-[(3,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819669
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819670
3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
CID 61168294
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-[(4-bromo-2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167521
4-bromo-2-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
CID 107737848

Frequently Asked Questions

What is the IUPAC name of N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 62762369) is N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine is c1cnc(-n2cncn2)c(NCc2cnccn2)c1.
What is the InChIKey of N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is CUISLJBYJQQHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7/c1-2-11(17-7-10-6-13-4-5-15-10)12(16-3-1)19-9-14-8-18-19/h1-6,8-9,17H,7H2.
What are the key properties of N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 253.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 62762369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).