3-imidazol-1-ylpropanamide;hydrate

C6H11N3O2 — CID 70092717

IUPAC3-imidazol-1-ylpropanamide;hydrate
SMILESNC(=O)CCn1ccnc1.O
InChIInChI=1S/C6H9N3O.H2O/c7-6(10)1-3-9-4-2-8-5-9;/h2,4-5H,1,3H2,(H2,7,10);1H2
InChIKeyGGASPGZBCRBVJJ-UHFFFAOYSA-N
MW157.17 g/mol
LogP-1.07
Rot. Bonds3

About 3-imidazol-1-ylpropanamide;hydrate

3-imidazol-1-ylpropanamide;hydrate (PubChem CID 70092717) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-imidazol-1-ylpropanamide;hydrate.

Molecular Properties

Compound Name3-imidazol-1-ylpropanamide;hydrate
PubChem CID70092717
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name3-imidazol-1-ylpropanamide;hydrate
SMILESNC(=O)CCn1ccnc1.O
InChIInChI=1S/C6H9N3O.H2O/c7-6(10)1-3-9-4-2-8-5-9;/h2,4-5H,1,3H2,(H2,7,10);1H2
InChIKeyGGASPGZBCRBVJJ-UHFFFAOYSA-N
XLogP-1.07
TPSA92.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-imidazol-1-ylpropanoic acid;hydrate
CID 174578472
(4S)-4-amino-7-imidazol-1-yl-5-oxoheptanamide
CID 175501556
3-imidazol-1-ylpropanoyl chloride
CID 19872160
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041
2-imidazol-1-ylethylurea
CID 61061185
4-imidazol-1-ylbutanethioamide
CID 19417737
3-imidazol-1-ylpropylurea
CID 22179621
N,N-bis(2-hydroxyethyl)-3-imidazol-1-ylpropanamide
CID 61235262
(3S)-5-(3-imidazol-1-ylpropanoylamino)-3-methylpentanamide
CID 173104435
5-imidazol-1-yl-2-oxopentanoic acid
CID 174329319
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-ylpropanamide;hydrate?
The IUPAC name of 3-imidazol-1-ylpropanamide;hydrate (CID 70092717) is 3-imidazol-1-ylpropanamide;hydrate.
What is the SMILES notation for 3-imidazol-1-ylpropanamide;hydrate?
The canonical SMILES for 3-imidazol-1-ylpropanamide;hydrate is NC(=O)CCn1ccnc1.O.
What is the InChIKey of 3-imidazol-1-ylpropanamide;hydrate?
The InChIKey is GGASPGZBCRBVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.H2O/c7-6(10)1-3-9-4-2-8-5-9;/h2,4-5H,1,3H2,(H2,7,10);1H2.
What are the key properties of 3-imidazol-1-ylpropanamide;hydrate?
3-imidazol-1-ylpropanamide;hydrate has a molecular weight of 157.17 g/mol, XLogP of -1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-ylpropanamide;hydrate is sourced from PubChem (CID 70092717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).