1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole

C14H13N11 — CID 141442220

IUPAC1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole
SMILESc1c[nH]c(N2C(c3cn[nH]n3)N=C(c3ccn[nH]3)N2c2ncc[nH]2)c1
InChIInChI=1S/C14H13N11/c1-2-11(15-4-1)24-13(10-8-19-23-22-10)20-12(9-3-5-18-21-9)25(24)14-16-6-7-17-14/h1-8,13,15H,(H,16,17)(H,18,21)(H,19,22,23)
InChIKeyPJLWCOVLXZUGKB-UHFFFAOYSA-N
MW335.34 g/mol
LogP0.97
Rot. Bonds4

About 1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole

1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole (PubChem CID 141442220) has the molecular formula C14H13N11 and a molecular weight of 335.34 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole
PubChem CID141442220
Molecular FormulaC14H13N11
Molecular Weight335.34 g/mol
Exact Mass335.14
IUPAC Name1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole
SMILESc1c[nH]c(N2C(c3cn[nH]n3)N=C(c3ccn[nH]3)N2c2ncc[nH]2)c1
InChIInChI=1S/C14H13N11/c1-2-11(15-4-1)24-13(10-8-19-23-22-10)20-12(9-3-5-18-21-9)25(24)14-16-6-7-17-14/h1-8,13,15H,(H,16,17)(H,18,21)(H,19,22,23)
InChIKeyPJLWCOVLXZUGKB-UHFFFAOYSA-N
XLogP0.97
TPSA133.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-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

5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 165415127
1H-imidazole;4-methyl-1,4-dihydropyridine;5-methyl-1H-imidazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;5-(trifluoromethyl)-1H-1,2,4-triazole
CID 158892585
N-pyrrol-1-yl-7H-purin-6-amine
CID 15136427
3-(1-methylpyrazol-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine
CID 58873886
N,5-di(1H-pyrazol-3-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 66574465
2-N-(1H-imidazol-5-ylmethyl)-6-methyl-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 68264238
2-N-(1H-imidazol-2-ylmethyl)-6-methyl-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 68264244
N-(1H-pyrrol-2-yl)-1H-pyrazol-4-amine
CID 68283405
1H-imidazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;2H-triazole
CID 69966674
1H-imidazole;1H-pyrazole;1H-pyrrole
CID 69966900
4,5,9,10,14,15,22,24-octakis(2,4-dimethyl-1H-imidazol-3-ium-3-yl)-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
CID 122699981
3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine
CID 129162520

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole?
The IUPAC name of 1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole (CID 141442220) is 1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole?
The canonical SMILES for 1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole is c1c[nH]c(N2C(c3cn[nH]n3)N=C(c3ccn[nH]3)N2c2ncc[nH]2)c1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole?
The InChIKey is PJLWCOVLXZUGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N11/c1-2-11(15-4-1)24-13(10-8-19-23-22-10)20-12(9-3-5-18-21-9)25(24)14-16-6-7-17-14/h1-8,13,15H,(H,16,17)(H,18,21)(H,19,22,23).
What are the key properties of 1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole?
1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole has a molecular weight of 335.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole is sourced from PubChem (CID 141442220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).