1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone

C6H5N5O — CID 57179658

IUPAC1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncc[nH]1)c1ncn[nH]1
InChIInChI=1S/C6H5N5O/c12-4(5-7-1-2-8-5)6-9-3-10-11-6/h1-3H,(H,7,8)(H,9,10,11)
InChIKeyVTPIAJBBTIYFIN-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.24
Rot. Bonds2

About 1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone

1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 57179658) has the molecular formula C6H5N5O and a molecular weight of 163.14 g/mol. Its IUPAC name is 1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone
PubChem CID57179658
Molecular FormulaC6H5N5O
Molecular Weight163.14 g/mol
Exact Mass163.05
IUPAC Name1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncc[nH]1)c1ncn[nH]1
InChIInChI=1S/C6H5N5O/c12-4(5-7-1-2-8-5)6-9-3-10-11-6/h1-3H,(H,7,8)(H,9,10,11)
InChIKeyVTPIAJBBTIYFIN-UHFFFAOYSA-N
XLogP-0.24
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone 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

bis(1H-imidazol-2-yl)methanone;oxalyl dichloride
CID 19366628
bis(1H-imidazol-2-yl)methanone;propylphosphonic acid
CID 175580950
azane;cobalt;1H-imidazole-2-carboxylic acid
CID 175883152
1H-imidazol-2-yl(pyrazin-2-yl)methanone
CID 57100700
sodium;hydride;1H-1,2,4-triazole-5-carboxamide
CID 173252182
(Z)-3-amino-1-(1H-imidazol-2-yl)prop-2-en-1-one
CID 142610359
3-chloro-1-(1H-imidazol-2-yl)propan-1-one
CID 19700809
2-(1H-imidazole-2-carbonyl)benzamide
CID 607520
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
(3,4-difluorophenyl)-(1H-imidazol-2-yl)methanone
CID 112731511
bis(1H-imidazol-2-yl)methanethione
CID 11412697
N-(2,2-difluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283347

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of 1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone (CID 57179658) is 1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for 1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for 1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncc[nH]1)c1ncn[nH]1.
What is the InChIKey of 1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is VTPIAJBBTIYFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O/c12-4(5-7-1-2-8-5)6-9-3-10-11-6/h1-3H,(H,7,8)(H,9,10,11).
What are the key properties of 1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone?
1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 163.14 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 57179658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).