6-(1,2,4-triazol-1-yl)pyrimidin-4-amine

C6H6N6 — CID 59286584

IUPAC6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
SMILESNc1cc(-n2cncn2)ncn1
InChIInChI=1S/C6H6N6/c7-5-1-6(10-3-9-5)12-4-8-2-11-12/h1-4H,(H2,7,9,10)
InChIKeySNRRNNMZKXYZQS-UHFFFAOYSA-N
MW162.16 g/mol
LogP-0.36
Rot. Bonds1

About 6-(1,2,4-triazol-1-yl)pyrimidin-4-amine

6-(1,2,4-triazol-1-yl)pyrimidin-4-amine (PubChem CID 59286584) has the molecular formula C6H6N6 and a molecular weight of 162.16 g/mol. Its IUPAC name is 6-(1,2,4-triazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
PubChem CID59286584
Molecular FormulaC6H6N6
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
SMILESNc1cc(-n2cncn2)ncn1
InChIInChI=1S/C6H6N6/c7-5-1-6(10-3-9-5)12-4-8-2-11-12/h1-4H,(H2,7,9,10)
InChIKeySNRRNNMZKXYZQS-UHFFFAOYSA-N
XLogP-0.36
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-(1,2,4-triazol-1-yl)pyrimidin-4-amine (CID 59286584) is 6-(1,2,4-triazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(1,2,4-triazol-1-yl)pyrimidin-4-amine is Nc1cc(-n2cncn2)ncn1.
What is the InChIKey of 6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The InChIKey is SNRRNNMZKXYZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6/c7-5-1-6(10-3-9-5)12-4-8-2-11-12/h1-4H,(H2,7,9,10).
What are the key properties of 6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
6-(1,2,4-triazol-1-yl)pyrimidin-4-amine has a molecular weight of 162.16 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,4-triazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 59286584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).