2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carbohydrazide

C11H13N5O — CID 616077

IUPAC2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carbohydrazide
SMILESN#Cc1c(N)nc2c(c1C(=O)NN)CCCC2
InChIInChI=1S/C11H13N5O/c12-5-7-9(11(17)16-14)6-3-1-2-4-8(6)15-10(7)13/h1-4,14H2,(H2,13,15)(H,16,17)
InChIKeyUUASYKGCMRPJMH-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.02
Rot. Bonds1

About 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carbohydrazide

2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carbohydrazide (PubChem CID 616077) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carbohydrazide
PubChem CID616077
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carbohydrazide
SMILESN#Cc1c(N)nc2c(c1C(=O)NN)CCCC2
InChIInChI=1S/C11H13N5O/c12-5-7-9(11(17)16-14)6-3-1-2-4-8(6)15-10(7)13/h1-4,14H2,(H2,13,15)(H,16,17)
InChIKeyUUASYKGCMRPJMH-UHFFFAOYSA-N
XLogP0.02
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-Hydrazinyl-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile
CID 91734611
2-Amino-3-cyano-5,6-tetramethylenepyridine-4-carboxamide
CID 15312043
2-Amino-5,6,7,8-tetrahydroquinoline-3-carbohydrazide
CID 15915188
2-Amino-4,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile
CID 44245601
2-Amino-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carbohydrazide
CID 45076294
2-Amino-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)quinoline-3-carbonitrile
CID 66490139
2-Amino-4-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 130017118
5-Amino-7,8-dimethyl-2,3-dihydropyrido[3,4-d]pyridazine-1,4-dione
CID 172003860

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carbohydrazide?
The IUPAC name of 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carbohydrazide (CID 616077) is 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carbohydrazide.
What is the SMILES notation for 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carbohydrazide?
The canonical SMILES for 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carbohydrazide is N#Cc1c(N)nc2c(c1C(=O)NN)CCCC2.
What is the InChIKey of 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carbohydrazide?
The InChIKey is UUASYKGCMRPJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-5-7-9(11(17)16-14)6-3-1-2-4-8(6)15-10(7)13/h1-4,14H2,(H2,13,15)(H,16,17).
What are the key properties of 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carbohydrazide?
2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carbohydrazide has a molecular weight of 231.26 g/mol, XLogP of 0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carbohydrazide is sourced from PubChem (CID 616077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).