1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide

C10H15N5O — CID 107498305

IUPAC1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide
SMILESCC(C#N)CNC(=O)c1cn(CCN)cn1
InChIInChI=1S/C10H15N5O/c1-8(4-12)5-13-10(16)9-6-15(3-2-11)7-14-9/h6-8H,2-3,5,11H2,1H3,(H,13,16)
InChIKeyGYTKURCUJHMLSA-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.27
Rot. Bonds5

About 1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide (PubChem CID 107498305) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide
PubChem CID107498305
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide
SMILESCC(C#N)CNC(=O)c1cn(CCN)cn1
InChIInChI=1S/C10H15N5O/c1-8(4-12)5-13-10(16)9-6-15(3-2-11)7-14-9/h6-8H,2-3,5,11H2,1H3,(H,13,16)
InChIKeyGYTKURCUJHMLSA-UHFFFAOYSA-N
XLogP-0.27
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-hydroxypropanoic acid
CID 107499094
1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide
CID 107498166
3-[[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]methyl]-5-methylhexanoic acid
CID 107499022
N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide
CID 107496025
1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide
CID 107499759
1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
CID 107499699
1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide
CID 107498968
1-(2-aminoethyl)-N-(2-pyrrol-1-ylethyl)imidazole-4-carboxamide
CID 106391058
1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide
CID 107499654
4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid
CID 107498788
2-[[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]methyl]-2-ethylbutanoic acid
CID 107499474
1-(2-aminoethyl)-N-(3-methylsulfonylpropyl)imidazole-4-carboxamide
CID 107497378

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide (CID 107498305) is 1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide is CC(C#N)CNC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide?
The InChIKey is GYTKURCUJHMLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-8(4-12)5-13-10(16)9-6-15(3-2-11)7-14-9/h6-8H,2-3,5,11H2,1H3,(H,13,16).
What are the key properties of 1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide has a molecular weight of 221.26 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide is sourced from PubChem (CID 107498305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).