5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide

C7H12N4O2 — CID 23938023

IUPAC5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide
SMILESCn1cnc(N)c1C(=O)NCCO
InChIInChI=1S/C7H12N4O2/c1-11-4-10-6(8)5(11)7(13)9-2-3-12/h4,12H,2-3,8H2,1H3,(H,9,13)
InChIKeyRGNBFOKIYVLSPB-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.28
Rot. Bonds3

About 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide

5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide (PubChem CID 23938023) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide
PubChem CID23938023
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide
SMILESCn1cnc(N)c1C(=O)NCCO
InChIInChI=1S/C7H12N4O2/c1-11-4-10-6(8)5(11)7(13)9-2-3-12/h4,12H,2-3,8H2,1H3,(H,9,13)
InChIKeyRGNBFOKIYVLSPB-UHFFFAOYSA-N
XLogP-1.28
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2-hydroxyethyl)-2,3-dimethylimidazole-4-carboxamide
CID 86767708
4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480388
4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19476931
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
ethane;1-methylimidazole-4,5-dicarbohydrazide
CID 143864935
4-chloro-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481557
(5-amino-3-methylimidazol-4-yl)methanol
CID 130118795
1-(6,6-dihydroxyhexyl)-N-(2-hydroxyethyl)-1,2,4-triazole-3-carboxamide
CID 175839202
3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide
CID 118782921
2-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]acetamide
CID 63977708
ethyl N-[(5-amino-3-methylimidazol-4-yl)methyl]carbamate
CID 165344097
1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19262208

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide (CID 23938023) is 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide is Cn1cnc(N)c1C(=O)NCCO.
What is the InChIKey of 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide?
The InChIKey is RGNBFOKIYVLSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-11-4-10-6(8)5(11)7(13)9-2-3-12/h4,12H,2-3,8H2,1H3,(H,9,13).
What are the key properties of 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide?
5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide has a molecular weight of 184.20 g/mol, XLogP of -1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 23938023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).