5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide

C10H12N4O3 — CID 171901473

IUPAC5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide
SMILESN#CCC(O)C(O)c1cncc(C(=O)NN)c1
InChIInChI=1S/C10H12N4O3/c11-2-1-8(15)9(16)6-3-7(5-13-4-6)10(17)14-12/h3-5,8-9,15-16H,1,12H2,(H,14,17)
InChIKeyUAQVUUDJFHSSFL-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.01
Rot. Bonds4

About 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide

5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide (PubChem CID 171901473) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide
PubChem CID171901473
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide
SMILESN#CCC(O)C(O)c1cncc(C(=O)NN)c1
InChIInChI=1S/C10H12N4O3/c11-2-1-8(15)9(16)6-3-7(5-13-4-6)10(17)14-12/h3-5,8-9,15-16H,1,12H2,(H,14,17)
InChIKeyUAQVUUDJFHSSFL-UHFFFAOYSA-N
XLogP-1.01
TPSA132.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901054
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171900618
4-(5-bromo-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171902022
5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid
CID 55276539
4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899288
2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901339
5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carboxamide
CID 171862032
5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid
CID 170817946
methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
CID 171858393
ethyl 4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897496
1-[5-(1,2-dihydroxy-3-sulfanylpropyl)-3-pyridinyl]ethanone
CID 170819990
5-(1-cyanobutan-2-yl)-N-phenylpyridine-3-carboxamide
CID 138601803

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide?
The IUPAC name of 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide (CID 171901473) is 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide?
The canonical SMILES for 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide is N#CCC(O)C(O)c1cncc(C(=O)NN)c1.
What is the InChIKey of 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide?
The InChIKey is UAQVUUDJFHSSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c11-2-1-8(15)9(16)6-3-7(5-13-4-6)10(17)14-12/h3-5,8-9,15-16H,1,12H2,(H,14,17).
What are the key properties of 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide?
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide has a molecular weight of 236.23 g/mol, XLogP of -1.01, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 171901473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).