(1-pyrazin-2-yl-1,2,4-triazol-3-yl)methanamine

C7H8N6 — CID 62949601

IUPAC(1-pyrazin-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESNCc1ncn(-c2cnccn2)n1
InChIInChI=1S/C7H8N6/c8-3-6-11-5-13(12-6)7-4-9-1-2-10-7/h1-2,4-5H,3,8H2
InChIKeyMMFTYXWLRWCQRI-UHFFFAOYSA-N
MW176.18 g/mol
LogP-0.48
Rot. Bonds2

About (1-pyrazin-2-yl-1,2,4-triazol-3-yl)methanamine

(1-pyrazin-2-yl-1,2,4-triazol-3-yl)methanamine (PubChem CID 62949601) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is (1-pyrazin-2-yl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-pyrazin-2-yl-1,2,4-triazol-3-yl)methanamine
PubChem CID62949601
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name(1-pyrazin-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESNCc1ncn(-c2cnccn2)n1
InChIInChI=1S/C7H8N6/c8-3-6-11-5-13(12-6)7-4-9-1-2-10-7/h1-2,4-5H,3,8H2
InChIKeyMMFTYXWLRWCQRI-UHFFFAOYSA-N
XLogP-0.48
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-pyrazin-2-yl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (1-pyrazin-2-yl-1,2,4-triazol-3-yl)methanamine (CID 62949601) is (1-pyrazin-2-yl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (1-pyrazin-2-yl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (1-pyrazin-2-yl-1,2,4-triazol-3-yl)methanamine is NCc1ncn(-c2cnccn2)n1.
What is the InChIKey of (1-pyrazin-2-yl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is MMFTYXWLRWCQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c8-3-6-11-5-13(12-6)7-4-9-1-2-10-7/h1-2,4-5H,3,8H2.
What are the key properties of (1-pyrazin-2-yl-1,2,4-triazol-3-yl)methanamine?
(1-pyrazin-2-yl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 176.18 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrazin-2-yl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 62949601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).