5-amino-N-(2-hydroxyethyl)-2,3-dimethylimidazole-4-carboxamide

C8H14N4O2 — CID 86767708

IUPAC5-amino-N-(2-hydroxyethyl)-2,3-dimethylimidazole-4-carboxamide
SMILESCc1nc(N)c(C(=O)NCCO)n1C
InChIInChI=1S/C8H14N4O2/c1-5-11-7(9)6(12(5)2)8(14)10-3-4-13/h13H,3-4,9H2,1-2H3,(H,10,14)
InChIKeyHOQHJGVESUYQFU-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.97
Rot. Bonds3

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

5-amino-N-(2-hydroxyethyl)-2,3-dimethylimidazole-4-carboxamide (PubChem CID 86767708) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxyethyl)-2,3-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxyethyl)-2,3-dimethylimidazole-4-carboxamide
PubChem CID86767708
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-amino-N-(2-hydroxyethyl)-2,3-dimethylimidazole-4-carboxamide
SMILESCc1nc(N)c(C(=O)NCCO)n1C
InChIInChI=1S/C8H14N4O2/c1-5-11-7(9)6(12(5)2)8(14)10-3-4-13/h13H,3-4,9H2,1-2H3,(H,10,14)
InChIKeyHOQHJGVESUYQFU-UHFFFAOYSA-N
XLogP-0.97
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide
CID 23938023
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-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082092
4-amino-1,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide
CID 106413397
4-chloro-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481557
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide
CID 66124598
4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66120267
N-ethyl-1,2,5-trimethylimidazole-4-carboxamide
CID 21334868
7-[(2-ethyl-6-methylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[4,5-b]pyridine-5-carboxamide
CID 69239506
4-amino-1,3-dimethyl-N-pent-4-ynylpyrazole-5-carboxamide
CID 106219829

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxyethyl)-2,3-dimethylimidazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-hydroxyethyl)-2,3-dimethylimidazole-4-carboxamide (CID 86767708) is 5-amino-N-(2-hydroxyethyl)-2,3-dimethylimidazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-hydroxyethyl)-2,3-dimethylimidazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-hydroxyethyl)-2,3-dimethylimidazole-4-carboxamide is Cc1nc(N)c(C(=O)NCCO)n1C.
What is the InChIKey of 5-amino-N-(2-hydroxyethyl)-2,3-dimethylimidazole-4-carboxamide?
The InChIKey is HOQHJGVESUYQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5-11-7(9)6(12(5)2)8(14)10-3-4-13/h13H,3-4,9H2,1-2H3,(H,10,14).
What are the key properties of 5-amino-N-(2-hydroxyethyl)-2,3-dimethylimidazole-4-carboxamide?
5-amino-N-(2-hydroxyethyl)-2,3-dimethylimidazole-4-carboxamide has a molecular weight of 198.23 g/mol, XLogP of -0.97, 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)-2,3-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 86767708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).