but-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide

C10H17N3O — CID 142565900

IUPACbut-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide
SMILESC.C#CCC.CNC(=O)c1ncc[nH]1
InChIInChI=1S/C5H7N3O.C4H6.CH4/c1-6-5(9)4-7-2-3-8-4;1-3-4-2;/h2-3H,1H3,(H,6,9)(H,7,8);1H,4H2,2H3;1H4
InChIKeyFAIOACKGBSWATE-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.43
Rot. Bonds1

About but-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide

but-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide (PubChem CID 142565900) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is but-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Namebut-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide
PubChem CID142565900
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Namebut-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide
SMILESC.C#CCC.CNC(=O)c1ncc[nH]1
InChIInChI=1S/C5H7N3O.C4H6.CH4/c1-6-5(9)4-7-2-3-8-4;1-3-4-2;/h2-3H,1H3,(H,6,9)(H,7,8);1H,4H2,2H3;1H4
InChIKeyFAIOACKGBSWATE-UHFFFAOYSA-N
XLogP1.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide
CID 131945847
N-(4-ethyl-1,3-thiazol-2-yl)-1H-imidazole-2-carboxamide
CID 22615150
ethane;ethyl 1H-imidazole-2-carboxylate
CID 143717895
2-(1H-imidazole-2-carbonylamino)pentanoic acid
CID 167781868
bis(1H-imidazol-2-yl)methanone;propylphosphonic acid
CID 175580950
azane;cobalt;1H-imidazole-2-carboxylic acid
CID 175883152
prop-2-ynyl N-(1H-imidazol-2-yl)carbamate
CID 130693105
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-imidazole-2-carboxamide
CID 110466560
N-(5-methyl-2-pyridinyl)-1H-imidazole-2-carboxamide
CID 110466431
N-(2-chloropyrimidin-5-yl)-1H-imidazole-2-carboxamide
CID 10171378
2-[(Z)-but-2-en-2-yl]-1H-imidazole
CID 169206426
N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-1H-imidazole-2-carboxamide
CID 131898376

Frequently Asked Questions

What is the IUPAC name of but-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of but-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide (CID 142565900) is but-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for but-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for but-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide is C.C#CCC.CNC(=O)c1ncc[nH]1.
What is the InChIKey of but-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide?
The InChIKey is FAIOACKGBSWATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.C4H6.CH4/c1-6-5(9)4-7-2-3-8-4;1-3-4-2;/h2-3H,1H3,(H,6,9)(H,7,8);1H,4H2,2H3;1H4.
What are the key properties of but-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide?
but-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 142565900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).