2-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyrazine

C10H9N7 — CID 46398121

IUPAC2-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyrazine
SMILESc1cnn(Cc2nc(-c3cnccn3)n[nH]2)c1
InChIInChI=1S/C10H9N7/c1-2-13-17(5-1)7-9-14-10(16-15-9)8-6-11-3-4-12-8/h1-6H,7H2,(H,14,15,16)
InChIKeyIVXAXVSDWZTLFE-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.51
Rot. Bonds3

About 2-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyrazine

2-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyrazine (PubChem CID 46398121) has the molecular formula C10H9N7 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyrazine
PubChem CID46398121
Molecular FormulaC10H9N7
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC Name2-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyrazine
SMILESc1cnn(Cc2nc(-c3cnccn3)n[nH]2)c1
InChIInChI=1S/C10H9N7/c1-2-13-17(5-1)7-9-14-10(16-15-9)8-6-11-3-4-12-8/h1-6H,7H2,(H,14,15,16)
InChIKeyIVXAXVSDWZTLFE-UHFFFAOYSA-N
XLogP0.51
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyrazine 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

(1S)-1-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine
CID 97288422
ethyl 3-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)propanoate
CID 167975792
4-chloro-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 43840023
N-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 43833009
4-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 2766531
2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine
CID 66487036
2-(4-oxoquinolin-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 90649648
2-(4-chloropyrazol-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 119066893
(1S)-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 93005356
(S)-(4-chlorophenyl)-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]methanamine
CID 97287763
N-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 43833127
1-[[2,3,4,5,6-pentakis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 15190545

Frequently Asked Questions

What is the IUPAC name of 2-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyrazine (CID 46398121) is 2-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyrazine is c1cnn(Cc2nc(-c3cnccn3)n[nH]2)c1.
What is the InChIKey of 2-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is IVXAXVSDWZTLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7/c1-2-13-17(5-1)7-9-14-10(16-15-9)8-6-11-3-4-12-8/h1-6H,7H2,(H,14,15,16).
What are the key properties of 2-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyrazine?
2-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 227.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 46398121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).