N,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine

C8H10N6 — CID 80854317

IUPACN,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
SMILESCNc1ncnc(-n2cncn2)c1C
InChIInChI=1S/C8H10N6/c1-6-7(9-2)11-4-12-8(6)14-5-10-3-13-14/h3-5H,1-2H3,(H,9,11,12)
InChIKeyXJVATRPMXLSQBN-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.41
Rot. Bonds2

About N,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine

N,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine (PubChem CID 80854317) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is N,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
PubChem CID80854317
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC NameN,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
SMILESCNc1ncnc(-n2cncn2)c1C
InChIInChI=1S/C8H10N6/c1-6-7(9-2)11-4-12-8(6)14-5-10-3-13-14/h3-5H,1-2H3,(H,9,11,12)
InChIKeyXJVATRPMXLSQBN-UHFFFAOYSA-N
XLogP0.41
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine (CID 80854317) is N,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine is CNc1ncnc(-n2cncn2)c1C.
What is the InChIKey of N,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The InChIKey is XJVATRPMXLSQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-6-7(9-2)11-4-12-8(6)14-5-10-3-13-14/h3-5H,1-2H3,(H,9,11,12).
What are the key properties of N,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
N,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine has a molecular weight of 190.21 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80854317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).