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

C7H8N6 — CID 107447516

IUPAC(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESNCc1ncnn1-c1ncccn1
InChIInChI=1S/C7H8N6/c8-4-6-11-5-12-13(6)7-9-2-1-3-10-7/h1-3,5H,4,8H2
InChIKeyJXCGKOAEQOHFMV-UHFFFAOYSA-N
MW176.18 g/mol
LogP-0.48
Rot. Bonds2

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

(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)methanamine (PubChem CID 107447516) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is (2-pyrimidin-2-yl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)methanamine
PubChem CID107447516
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESNCc1ncnn1-c1ncccn1
InChIInChI=1S/C7H8N6/c8-4-6-11-5-12-13(6)7-9-2-1-3-10-7/h1-3,5H,4,8H2
InChIKeyJXCGKOAEQOHFMV-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 (2-pyrimidin-2-yl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (2-pyrimidin-2-yl-1,2,4-triazol-3-yl)methanamine (CID 107447516) is (2-pyrimidin-2-yl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (2-pyrimidin-2-yl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (2-pyrimidin-2-yl-1,2,4-triazol-3-yl)methanamine is NCc1ncnn1-c1ncccn1.
What is the InChIKey of (2-pyrimidin-2-yl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is JXCGKOAEQOHFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c8-4-6-11-5-12-13(6)7-9-2-1-3-10-7/h1-3,5H,4,8H2.
What are the key properties of (2-pyrimidin-2-yl-1,2,4-triazol-3-yl)methanamine?
(2-pyrimidin-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 (2-pyrimidin-2-yl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 107447516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).