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

C8H10N6 — CID 64830514

IUPACN,N-dimethyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-amine
SMILESCN(C)c1nccc(-n2cncn2)n1
InChIInChI=1S/C8H10N6/c1-13(2)8-10-4-3-7(12-8)14-6-9-5-11-14/h3-6H,1-2H3
InChIKeyGAQLHTUQDOTWBC-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.12
Rot. Bonds2

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

N,N-dimethyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-amine (PubChem CID 64830514) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is N,N-dimethyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-amine
PubChem CID64830514
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC NameN,N-dimethyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-amine
SMILESCN(C)c1nccc(-n2cncn2)n1
InChIInChI=1S/C8H10N6/c1-13(2)8-10-4-3-7(12-8)14-6-9-5-11-14/h3-6H,1-2H3
InChIKeyGAQLHTUQDOTWBC-UHFFFAOYSA-N
XLogP0.12
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-amine (CID 64830514) is N,N-dimethyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-amine is CN(C)c1nccc(-n2cncn2)n1.
What is the InChIKey of N,N-dimethyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-amine?
The InChIKey is GAQLHTUQDOTWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-13(2)8-10-4-3-7(12-8)14-6-9-5-11-14/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-amine?
N,N-dimethyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-amine has a molecular weight of 190.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 64830514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).