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

C9H8N6 — CID 141030626

IUPAC4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-2H-triazole
SMILESc1c[nH]c(-c2n[nH]nc2-c2ncc[nH]2)c1
InChIInChI=1S/C9H8N6/c1-2-6(10-3-1)7-8(14-15-13-7)9-11-4-5-12-9/h1-5,10H,(H,11,12)(H,13,14,15)
InChIKeyILDFJDKNWNMBHO-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.19
Rot. Bonds2

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

4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-2H-triazole (PubChem CID 141030626) has the molecular formula C9H8N6 and a molecular weight of 200.21 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-2H-triazole.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-2H-triazole
PubChem CID141030626
Molecular FormulaC9H8N6
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-2H-triazole
SMILESc1c[nH]c(-c2n[nH]nc2-c2ncc[nH]2)c1
InChIInChI=1S/C9H8N6/c1-2-6(10-3-1)7-8(14-15-13-7)9-11-4-5-12-9/h1-5,10H,(H,11,12)(H,13,14,15)
InChIKeyILDFJDKNWNMBHO-UHFFFAOYSA-N
XLogP1.19
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3-(1H-pyrrol-2-yl)pyrazine
CID 103341752
2-[[4-(1H-pyrrol-2-yl)phenyl]methyl]-1H-imidazole
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tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
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methyl 5-(1H-imidazol-2-yl)-2H-triazole-4-carboxylate
CID 165467047
5-(1H-imidazol-2-yl)-2H-benzotriazole
CID 90983409
3,6-bis(1H-pyrrol-2-yl)pyridazine
CID 102440417
3-pyridin-2-yl-2-(1H-pyrrol-2-yl)quinoline
CID 140974379
ethane;2-phenyl-1H-imidazole
CID 142210082
4-(1H-imidazol-2-yl)-2-methyl-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)imidazole
CID 141053707
2-methyl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116903909
methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole
CID 159141644
2-(1H-imidazol-2-yl)phenolate
CID 132599402

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-2H-triazole?
The IUPAC name of 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-2H-triazole (CID 141030626) is 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-2H-triazole.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-2H-triazole?
The canonical SMILES for 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-2H-triazole is c1c[nH]c(-c2n[nH]nc2-c2ncc[nH]2)c1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-2H-triazole?
The InChIKey is ILDFJDKNWNMBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6/c1-2-6(10-3-1)7-8(14-15-13-7)9-11-4-5-12-9/h1-5,10H,(H,11,12)(H,13,14,15).
What are the key properties of 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-2H-triazole?
4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-2H-triazole has a molecular weight of 200.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-2H-triazole is sourced from PubChem (CID 141030626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).