5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile

C10H11N3 — CID 139725890

IUPAC5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile
SMILESCCC(C)C#Cc1[nH]cnc1C#N
InChIInChI=1S/C10H11N3/c1-3-8(2)4-5-9-10(6-11)13-7-12-9/h7-8H,3H2,1-2H3,(H,12,13)
InChIKeyPRCYRIFCUSPWTA-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.68
Rot. Bonds1

About 5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile

5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile (PubChem CID 139725890) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile
PubChem CID139725890
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile
SMILESCCC(C)C#Cc1[nH]cnc1C#N
InChIInChI=1S/C10H11N3/c1-3-8(2)4-5-9-10(6-11)13-7-12-9/h7-8H,3H2,1-2H3,(H,12,13)
InChIKeyPRCYRIFCUSPWTA-UHFFFAOYSA-N
XLogP1.68
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile 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-(3-hydroxypent-1-ynyl)-1H-imidazole-4-carbonitrile
CID 139725884
5-pent-1-ynyl-1H-imidazole-4-carbonitrile
CID 139725891
azane;1H-imidazole-4,5-dicarbonitrile
CID 175608883
5-(3-hydroxyprop-1-ynyl)-1H-imidazole-4-carbonitrile
CID 14986207
5-(3-methylpent-1-ynyl)-1H-pyrazole
CID 156542080
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-methylpent-1-ynyl)imidazole-4-carbonitrile
CID 54045118
3-[butan-2-yl(methyl)amino]pyrazine-2-carbonitrile
CID 62685730
5-isocyano-1H-imidazole-4-carbonitrile
CID 23561826
1,2,3,4,5-pentafluoro-6-(3-methylpent-1-ynyl)benzene
CID 131983447
3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile
CID 79470228
N'-(5-cyano-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide
CID 176894125
5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile
CID 165380889

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile?
The IUPAC name of 5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile (CID 139725890) is 5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile.
What is the SMILES notation for 5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile?
The canonical SMILES for 5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile is CCC(C)C#Cc1[nH]cnc1C#N.
What is the InChIKey of 5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile?
The InChIKey is PRCYRIFCUSPWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-3-8(2)4-5-9-10(6-11)13-7-12-9/h7-8H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile?
5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpent-1-ynyl)-1H-imidazole-4-carbonitrile is sourced from PubChem (CID 139725890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).