2-methyl-6-[1-(3-methylbutyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C14H18N6 — CID 121496208

IUPAC2-methyl-6-[1-(3-methylbutyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncc(-c3cnn(CCC(C)C)c3)cn2n1
InChIInChI=1S/C14H18N6/c1-10(2)4-5-19-8-13(7-16-19)12-6-15-14-17-11(3)18-20(14)9-12/h6-10H,4-5H2,1-3H3
InChIKeySWAHAAJJGYKXMC-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.34
Rot. Bonds4

About 2-methyl-6-[1-(3-methylbutyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

2-methyl-6-[1-(3-methylbutyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 121496208) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-methyl-6-[1-(3-methylbutyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-6-[1-(3-methylbutyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID121496208
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name2-methyl-6-[1-(3-methylbutyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncc(-c3cnn(CCC(C)C)c3)cn2n1
InChIInChI=1S/C14H18N6/c1-10(2)4-5-19-8-13(7-16-19)12-6-15-14-17-11(3)18-20(14)9-12/h6-10H,4-5H2,1-3H3
InChIKeySWAHAAJJGYKXMC-UHFFFAOYSA-N
XLogP2.34
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-[1-(3-methylbutyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-(3-methylbutyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-6-[1-(3-methylbutyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 121496208) is 2-methyl-6-[1-(3-methylbutyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-6-[1-(3-methylbutyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-6-[1-(3-methylbutyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncc(-c3cnn(CCC(C)C)c3)cn2n1.
What is the InChIKey of 2-methyl-6-[1-(3-methylbutyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SWAHAAJJGYKXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-10(2)4-5-19-8-13(7-16-19)12-6-15-14-17-11(3)18-20(14)9-12/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-methyl-6-[1-(3-methylbutyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
2-methyl-6-[1-(3-methylbutyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 270.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(3-methylbutyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 121496208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).