(2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide

C6H11N5O — CID 18651854

IUPAC(2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide
SMILESNN[C@@H](Cc1cnc[nH]1)C(N)=O
InChIInChI=1S/C6H11N5O/c7-6(12)5(11-8)1-4-2-9-3-10-4/h2-3,5,11H,1,8H2,(H2,7,12)(H,9,10)/t5-/m0/s1
InChIKeyNCWDXQGBELQWAS-YFKPBYRVSA-N
MW169.19 g/mol
LogP-1.73
Rot. Bonds4

About (2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide

(2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide (PubChem CID 18651854) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is (2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide
PubChem CID18651854
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name(2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide
SMILESNN[C@@H](Cc1cnc[nH]1)C(N)=O
InChIInChI=1S/C6H11N5O/c7-6(12)5(11-8)1-4-2-9-3-10-4/h2-3,5,11H,1,8H2,(H2,7,12)(H,9,10)/t5-/m0/s1
InChIKeyNCWDXQGBELQWAS-YFKPBYRVSA-N
XLogP-1.73
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide
CID 92523863
[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]methylphosphonic acid
CID 46931287
(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832
(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoyl]amino]propanamide
CID 58213399
[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamic acid
CID 19939260
(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanamide
CID 15294285
2-[[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]ethylphosphonic acid
CID 68512936
N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-methylpentanamide
CID 70890007
[3-(1H-imidazol-5-yl)-2-(methylamino)propanoyl] 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
CID 175257691
methyl (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
CID 7020801
tert-butyl N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
CID 18645442
CID 162305209
CID 162305209

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of (2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide (CID 18651854) is (2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide is NN[C@@H](Cc1cnc[nH]1)C(N)=O.
What is the InChIKey of (2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is NCWDXQGBELQWAS-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N5O/c7-6(12)5(11-8)1-4-2-9-3-10-4/h2-3,5,11H,1,8H2,(H2,7,12)(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide?
(2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 169.19 g/mol, XLogP of -1.73, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 18651854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).