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

C7H8N6 — CID 62958748

IUPAC1-(4-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine
SMILESCc1ccnc(-n2cnc(N)n2)n1
InChIInChI=1S/C7H8N6/c1-5-2-3-9-7(11-5)13-4-10-6(8)12-13/h2-4H,1H3,(H2,8,12)
InChIKeyQPCCXDTWCAYQON-UHFFFAOYSA-N
MW176.18 g/mol
LogP-0.05
Rot. Bonds1

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

1-(4-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine (PubChem CID 62958748) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-(4-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(4-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine
PubChem CID62958748
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name1-(4-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine
SMILESCc1ccnc(-n2cnc(N)n2)n1
InChIInChI=1S/C7H8N6/c1-5-2-3-9-7(11-5)13-4-10-6(8)12-13/h2-4H,1H3,(H2,8,12)
InChIKeyQPCCXDTWCAYQON-UHFFFAOYSA-N
XLogP-0.05
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(4-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine (CID 62958748) is 1-(4-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(4-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(4-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine is Cc1ccnc(-n2cnc(N)n2)n1.
What is the InChIKey of 1-(4-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine?
The InChIKey is QPCCXDTWCAYQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c1-5-2-3-9-7(11-5)13-4-10-6(8)12-13/h2-4H,1H3,(H2,8,12).
What are the key properties of 1-(4-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine?
1-(4-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine has a molecular weight of 176.18 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrimidin-2-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 62958748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).