4-(2-methyl-4-pyridin-3-yl-3H-1,2,4-triazol-5-yl)pyrimidine

C12H12N6 — CID 57013365

IUPAC4-(2-methyl-4-pyridin-3-yl-3H-1,2,4-triazol-5-yl)pyrimidine
SMILESCN1CN(c2cccnc2)C(c2ccncn2)=N1
InChIInChI=1S/C12H12N6/c1-17-9-18(10-3-2-5-13-7-10)12(16-17)11-4-6-14-8-15-11/h2-8H,9H2,1H3
InChIKeyRHWXOCUBACJWPV-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.94
Rot. Bonds2

About 4-(2-methyl-4-pyridin-3-yl-3H-1,2,4-triazol-5-yl)pyrimidine

4-(2-methyl-4-pyridin-3-yl-3H-1,2,4-triazol-5-yl)pyrimidine (PubChem CID 57013365) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-(2-methyl-4-pyridin-3-yl-3H-1,2,4-triazol-5-yl)pyrimidine.

Molecular Properties

Compound Name4-(2-methyl-4-pyridin-3-yl-3H-1,2,4-triazol-5-yl)pyrimidine
PubChem CID57013365
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name4-(2-methyl-4-pyridin-3-yl-3H-1,2,4-triazol-5-yl)pyrimidine
SMILESCN1CN(c2cccnc2)C(c2ccncn2)=N1
InChIInChI=1S/C12H12N6/c1-17-9-18(10-3-2-5-13-7-10)12(16-17)11-4-6-14-8-15-11/h2-8H,9H2,1H3
InChIKeyRHWXOCUBACJWPV-UHFFFAOYSA-N
XLogP0.94
TPSA57.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-pyridin-3-yl-3H-1,2,4-triazol-5-yl)pyrimidine?
The IUPAC name of 4-(2-methyl-4-pyridin-3-yl-3H-1,2,4-triazol-5-yl)pyrimidine (CID 57013365) is 4-(2-methyl-4-pyridin-3-yl-3H-1,2,4-triazol-5-yl)pyrimidine.
What is the SMILES notation for 4-(2-methyl-4-pyridin-3-yl-3H-1,2,4-triazol-5-yl)pyrimidine?
The canonical SMILES for 4-(2-methyl-4-pyridin-3-yl-3H-1,2,4-triazol-5-yl)pyrimidine is CN1CN(c2cccnc2)C(c2ccncn2)=N1.
What is the InChIKey of 4-(2-methyl-4-pyridin-3-yl-3H-1,2,4-triazol-5-yl)pyrimidine?
The InChIKey is RHWXOCUBACJWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-17-9-18(10-3-2-5-13-7-10)12(16-17)11-4-6-14-8-15-11/h2-8H,9H2,1H3.
What are the key properties of 4-(2-methyl-4-pyridin-3-yl-3H-1,2,4-triazol-5-yl)pyrimidine?
4-(2-methyl-4-pyridin-3-yl-3H-1,2,4-triazol-5-yl)pyrimidine has a molecular weight of 240.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-pyridin-3-yl-3H-1,2,4-triazol-5-yl)pyrimidine is sourced from PubChem (CID 57013365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).