azane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine

C8H12N6 — CID 175302032

IUPACazane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine
SMILESCc1nc(C)n(-c2ncccn2)n1.N
InChIInChI=1S/C8H9N5.H3N/c1-6-11-7(2)13(12-6)8-9-4-3-5-10-8;/h3-5H,1-2H3;1H3
InChIKeyJRZSVJAWKPQKIH-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.84
Rot. Bonds1

About azane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine

azane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine (PubChem CID 175302032) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is azane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine.

Molecular Properties

Compound Nameazane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine
PubChem CID175302032
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Nameazane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine
SMILESCc1nc(C)n(-c2ncccn2)n1.N
InChIInChI=1S/C8H9N5.H3N/c1-6-11-7(2)13(12-6)8-9-4-3-5-10-8;/h3-5H,1-2H3;1H3
InChIKeyJRZSVJAWKPQKIH-UHFFFAOYSA-N
XLogP0.84
TPSA91.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine?
The IUPAC name of azane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine (CID 175302032) is azane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine.
What is the SMILES notation for azane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine?
The canonical SMILES for azane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine is Cc1nc(C)n(-c2ncccn2)n1.N.
What is the InChIKey of azane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine?
The InChIKey is JRZSVJAWKPQKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5.H3N/c1-6-11-7(2)13(12-6)8-9-4-3-5-10-8;/h3-5H,1-2H3;1H3.
What are the key properties of azane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine?
azane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine has a molecular weight of 192.23 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine is sourced from PubChem (CID 175302032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).