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

C12H10N8 — CID 141198823

IUPAC5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)triazole
SMILESc1c[nH]c(-n2nnc(-c3ccn[nH]3)c2-c2ncc[nH]2)c1
InChIInChI=1S/C12H10N8/c1-2-9(13-4-1)20-11(12-14-6-7-15-12)10(18-19-20)8-3-5-16-17-8/h1-7,13H,(H,14,15)(H,16,17)
InChIKeyQFVUFCNAIJPQIY-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.38
Rot. Bonds3

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

5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)triazole (PubChem CID 141198823) has the molecular formula C12H10N8 and a molecular weight of 266.27 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)triazole.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)triazole
PubChem CID141198823
Molecular FormulaC12H10N8
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)triazole
SMILESc1c[nH]c(-n2nnc(-c3ccn[nH]3)c2-c2ncc[nH]2)c1
InChIInChI=1S/C12H10N8/c1-2-9(13-4-1)20-11(12-14-6-7-15-12)10(18-19-20)8-3-5-16-17-8/h1-7,13H,(H,14,15)(H,16,17)
InChIKeyQFVUFCNAIJPQIY-UHFFFAOYSA-N
XLogP1.38
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-Pyrazol-5-yl)-1H-1,3-benzodiazole
CID 763936
3-(4-Amino-6-Methyl-1,3,5-Triazin-2-Yl)-N-(1h-Pyrazol-5-Yl)imidazo[1,2-A]pyridin-2-Amine
CID 49835055
3-[2-Methyl-6-(Pyrazin-2-Ylamino)pyrimidin-4-Yl]-N-(1h-Pyrazol-3-Yl)imidazo[1,2-B]pyridazin-2-Amine
CID 62706651
3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-3-yl)imidazo(1,2-b)pyridazin-2-amine
CID 49835107
3-(6-amino-2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706472
3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
CID 62706475
6-(1h-Pyrazol-3-Yl)-3-(1h-Pyrazol-4-Yl)imidazo[1,2-A]pyrazine
CID 46911673
3-(2-methylpyrimidin-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
CID 62706476
N-[5-(4-pyrrolidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155678861
2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 122193403
N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155678823
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155678854

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)triazole?
The IUPAC name of 5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)triazole (CID 141198823) is 5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)triazole.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)triazole?
The canonical SMILES for 5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)triazole is c1c[nH]c(-n2nnc(-c3ccn[nH]3)c2-c2ncc[nH]2)c1.
What is the InChIKey of 5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)triazole?
The InChIKey is QFVUFCNAIJPQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N8/c1-2-9(13-4-1)20-11(12-14-6-7-15-12)10(18-19-20)8-3-5-16-17-8/h1-7,13H,(H,14,15)(H,16,17).
What are the key properties of 5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)triazole?
5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)triazole has a molecular weight of 266.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)triazole is sourced from PubChem (CID 141198823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).