3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline

C14H12N6 — CID 56855001

IUPAC3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCc1cc(-c2nnc3c4ccccc4ncn23)n(C)n1
InChIInChI=1S/C14H12N6/c1-9-7-12(19(2)18-9)14-17-16-13-10-5-3-4-6-11(10)15-8-20(13)14/h3-8H,1-2H3
InChIKeyBDGUUYXENXXQNJ-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.99
Rot. Bonds1

About 3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline

3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 56855001) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID56855001
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCc1cc(-c2nnc3c4ccccc4ncn23)n(C)n1
InChIInChI=1S/C14H12N6/c1-9-7-12(19(2)18-9)14-17-16-13-10-5-3-4-6-11(10)15-8-20(13)14/h3-8H,1-2H3
InChIKeyBDGUUYXENXXQNJ-UHFFFAOYSA-N
XLogP1.99
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline with MolForge

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

Launch Full Analysis

Related Compounds

8-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 66128415
3-(2-ethylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 39755643
N,N-dimethyl-2-[4-([1,2,4]triazolo[4,3-c]quinazolin-3-yl)phenoxy]ethanamine
CID 142687217
3-propylsulfanyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 7272714
5-(1-benzofuran-3-yl)-1,3-dimethylpyrazole
CID 116856819
2-([1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)acetic acid
CID 2476033
6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 66128201
5-(2,6-difluorophenyl)-1,3-dimethylpyrazole
CID 66614304
(2-methylimidazo[1,2-c]quinazolin-3-yl) acetate
CID 730766
2-(3-methylimidazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889963
1-(2,5-dimethylpyrazol-3-yl)-2-quinolin-4-ylethanamine
CID 105159324
1-(2,5-dimethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
CID 138810152

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline (CID 56855001) is 3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline is Cc1cc(-c2nnc3c4ccccc4ncn23)n(C)n1.
What is the InChIKey of 3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is BDGUUYXENXXQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c1-9-7-12(19(2)18-9)14-17-16-13-10-5-3-4-6-11(10)15-8-20(13)14/h3-8H,1-2H3.
What are the key properties of 3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline?
3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 264.29 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 56855001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).