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

C6H6N6 — CID 131286114

IUPAC2-(1,2,4-triazol-4-yl)pyrimidin-4-amine
SMILESNc1ccnc(-n2cnnc2)n1
InChIInChI=1S/C6H6N6/c7-5-1-2-8-6(11-5)12-3-9-10-4-12/h1-4H,(H2,7,8,11)
InChIKeyVBIAJOFYDVZKPM-UHFFFAOYSA-N
MW162.16 g/mol
LogP-0.36
Rot. Bonds1

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

2-(1,2,4-triazol-4-yl)pyrimidin-4-amine (PubChem CID 131286114) has the molecular formula C6H6N6 and a molecular weight of 162.16 g/mol. Its IUPAC name is 2-(1,2,4-triazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,2,4-triazol-4-yl)pyrimidin-4-amine
PubChem CID131286114
Molecular FormulaC6H6N6
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name2-(1,2,4-triazol-4-yl)pyrimidin-4-amine
SMILESNc1ccnc(-n2cnnc2)n1
InChIInChI=1S/C6H6N6/c7-5-1-2-8-6(11-5)12-3-9-10-4-12/h1-4H,(H2,7,8,11)
InChIKeyVBIAJOFYDVZKPM-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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Related Compounds

1-(4-aminopyrimidin-2-yl)-1,2,4-triazole-3-carbonitrile
CID 116798082
2-pyrazol-1-ylpyrimidin-4-amine;hydrate;dihydrochloride
CID 175006544
2-(2-propylimidazol-1-yl)pyrimidin-4-amine
CID 116798084
2-(4-aminopyrimidin-2-yl)-2-azabicyclo[2.2.1]heptan-5-ol
CID 156538435
2-(4-iodopyrazol-1-yl)pyrimidin-4-amine
CID 116798086
2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine
CID 126980763
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
2-[4-[(2R)-2-aminopropyl]piperazin-1-yl]pyrimidin-4-amine
CID 99646503
2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine
CID 56887887
1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710625
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 116796481
2-(2,4-dimethylpiperidin-1-yl)pyrimidin-4-amine
CID 116796790

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(1,2,4-triazol-4-yl)pyrimidin-4-amine (CID 131286114) is 2-(1,2,4-triazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1,2,4-triazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(1,2,4-triazol-4-yl)pyrimidin-4-amine is Nc1ccnc(-n2cnnc2)n1.
What is the InChIKey of 2-(1,2,4-triazol-4-yl)pyrimidin-4-amine?
The InChIKey is VBIAJOFYDVZKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6/c7-5-1-2-8-6(11-5)12-3-9-10-4-12/h1-4H,(H2,7,8,11).
What are the key properties of 2-(1,2,4-triazol-4-yl)pyrimidin-4-amine?
2-(1,2,4-triazol-4-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 2-(1,2,4-triazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 131286114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).