(1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone

C9H11N5O — CID 130603525

IUPAC(1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)c1cnn(C)n1
InChIInChI=1S/C9H11N5O/c1-6-7(5-13(2)11-6)9(15)8-4-10-14(3)12-8/h4-5H,1-3H3
InChIKeyBOZYCKJZKOZJHL-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.09
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone

(1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone (PubChem CID 130603525) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone
PubChem CID130603525
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)c1cnn(C)n1
InChIInChI=1S/C9H11N5O/c1-6-7(5-13(2)11-6)9(15)8-4-10-14(3)12-8/h4-5H,1-3H3
InChIKeyBOZYCKJZKOZJHL-UHFFFAOYSA-N
XLogP0.09
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone 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 (1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone (CID 130603525) is (1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone is Cc1nn(C)cc1C(=O)c1cnn(C)n1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone?
The InChIKey is BOZYCKJZKOZJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-6-7(5-13(2)11-6)9(15)8-4-10-14(3)12-8/h4-5H,1-3H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone?
(1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone has a molecular weight of 205.22 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone is sourced from PubChem (CID 130603525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).