N,N-diethylethanamine;1H-imidazole-5-carboxamide

C10H20N4O — CID 68977310

IUPACN,N-diethylethanamine;1H-imidazole-5-carboxamide
SMILESCCN(CC)CC.NC(=O)c1cnc[nH]1
InChIInChI=1S/C6H15N.C4H5N3O/c1-4-7(5-2)6-3;5-4(8)3-1-6-2-7-3/h4-6H2,1-3H3;1-2H,(H2,5,8)(H,6,7)
InChIKeyURYSLIJBEVMHRW-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.86
Rot. Bonds4

About N,N-diethylethanamine;1H-imidazole-5-carboxamide

N,N-diethylethanamine;1H-imidazole-5-carboxamide (PubChem CID 68977310) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N,N-diethylethanamine;1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-diethylethanamine;1H-imidazole-5-carboxamide
PubChem CID68977310
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN,N-diethylethanamine;1H-imidazole-5-carboxamide
SMILESCCN(CC)CC.NC(=O)c1cnc[nH]1
InChIInChI=1S/C6H15N.C4H5N3O/c1-4-7(5-2)6-3;5-4(8)3-1-6-2-7-3/h4-6H2,1-3H3;1-2H,(H2,5,8)(H,6,7)
InChIKeyURYSLIJBEVMHRW-UHFFFAOYSA-N
XLogP0.86
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1H-imidazole-5-carboxamide;(Z)-octadec-9-enoic acid
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N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide
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3-(1H-imidazol-5-yl)-3-oxopropanamide
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ethyl 1H-imidazole-5-carboxylate;molecular hydrogen
CID 164601521
1H-imidazole-5-carbohydrazide;hydrochloride
CID 141069695
N,N-dipentyl-1H-imidazole-5-carboxamide
CID 25129631
butyl 1H-imidazole-5-carboxylate
CID 22988126
N-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide
CID 115869545
1H-imidazole-5-carboxylic acid;pentan-1-amine
CID 174820099
5-(1-ethoxyethenyl)-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;1H-imidazole-5-carboxamide?
The IUPAC name of N,N-diethylethanamine;1H-imidazole-5-carboxamide (CID 68977310) is N,N-diethylethanamine;1H-imidazole-5-carboxamide.
What is the SMILES notation for N,N-diethylethanamine;1H-imidazole-5-carboxamide?
The canonical SMILES for N,N-diethylethanamine;1H-imidazole-5-carboxamide is CCN(CC)CC.NC(=O)c1cnc[nH]1.
What is the InChIKey of N,N-diethylethanamine;1H-imidazole-5-carboxamide?
The InChIKey is URYSLIJBEVMHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H5N3O/c1-4-7(5-2)6-3;5-4(8)3-1-6-2-7-3/h4-6H2,1-3H3;1-2H,(H2,5,8)(H,6,7).
What are the key properties of N,N-diethylethanamine;1H-imidazole-5-carboxamide?
N,N-diethylethanamine;1H-imidazole-5-carboxamide has a molecular weight of 212.30 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;1H-imidazole-5-carboxamide is sourced from PubChem (CID 68977310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).