5-(6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-amine

C7H8N6 — CID 140755419

IUPAC5-(6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-amine
SMILESCc1cc(-c2nc(N)n[nH]2)ncn1
InChIInChI=1S/C7H8N6/c1-4-2-5(10-3-9-4)6-11-7(8)13-12-6/h2-3H,1H3,(H3,8,11,12,13)
InChIKeySEVSZWXUVNEYKU-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.15
Rot. Bonds1

About 5-(6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-amine

5-(6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 140755419) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-(6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-amine
PubChem CID140755419
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name5-(6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-amine
SMILESCc1cc(-c2nc(N)n[nH]2)ncn1
InChIInChI=1S/C7H8N6/c1-4-2-5(10-3-9-4)6-11-7(8)13-12-6/h2-3H,1H3,(H3,8,11,12,13)
InChIKeySEVSZWXUVNEYKU-UHFFFAOYSA-N
XLogP0.15
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-amine (CID 140755419) is 5-(6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-amine is Cc1cc(-c2nc(N)n[nH]2)ncn1.
What is the InChIKey of 5-(6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is SEVSZWXUVNEYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c1-4-2-5(10-3-9-4)6-11-7(8)13-12-6/h2-3H,1H3,(H3,8,11,12,13).
What are the key properties of 5-(6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-amine?
5-(6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 176.18 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 140755419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).