4-(2,5-dimethylpyrazol-3-yl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole

C12H15N7 — CID 56704701

IUPAC4-(2,5-dimethylpyrazol-3-yl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole
SMILESCc1cc(-n2cnnc2CCn2cccn2)n(C)n1
InChIInChI=1S/C12H15N7/c1-10-8-12(17(2)16-10)19-9-13-15-11(19)4-7-18-6-3-5-14-18/h3,5-6,8-9H,4,7H2,1-2H3
InChIKeyKFSTVYRMJYVBIU-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.75
Rot. Bonds4

About 4-(2,5-dimethylpyrazol-3-yl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole

4-(2,5-dimethylpyrazol-3-yl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole (PubChem CID 56704701) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole
PubChem CID56704701
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole
SMILESCc1cc(-n2cnnc2CCn2cccn2)n(C)n1
InChIInChI=1S/C12H15N7/c1-10-8-12(17(2)16-10)19-9-13-15-11(19)4-7-18-6-3-5-14-18/h3,5-6,8-9H,4,7H2,1-2H3
InChIKeyKFSTVYRMJYVBIU-UHFFFAOYSA-N
XLogP0.75
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(2,5-dimethylpyrazol-3-yl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole 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

5,7-Dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 72705089
5-Methyl-7-pyrrol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71595886
2,3-Dimethyl-5-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethynyl)pyrazolo[1,5-a]pyrimidine
CID 75201358
N~4~,6-dimethyl-N~4~-[3-(1H-pyrazol-1-yl)propyl]-2,4-pyrimidinediamine
CID 39782655
n-(2-(1h-Pyrazol-1-yl)ethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53532814
N,5-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70778317
5-Methyl-7-pyrazol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71596495
1-methyl-3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine
CID 13861132
1-(4-methylpyrimidin-2-yl)-1H-pyrazol-3-amine
CID 62958582
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(1H-pyrazol-1-yl)pyrimidine
CID 1376774
4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1-pyrrolidinyl)pyrimidine
CID 53172426
1-[(1-allyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidine
CID 72900960

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole (CID 56704701) is 4-(2,5-dimethylpyrazol-3-yl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole is Cc1cc(-n2cnnc2CCn2cccn2)n(C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole?
The InChIKey is KFSTVYRMJYVBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-10-8-12(17(2)16-10)19-9-13-15-11(19)4-7-18-6-3-5-14-18/h3,5-6,8-9H,4,7H2,1-2H3.
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole?
4-(2,5-dimethylpyrazol-3-yl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole has a molecular weight of 257.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)-3-(2-pyrazol-1-ylethyl)-1,2,4-triazole is sourced from PubChem (CID 56704701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).