1H-indole-4-carbohydrazide

C9H9N3O — CID 43316644

IUPAC1H-indole-4-carbohydrazide
SMILESNNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C9H9N3O/c10-12-9(13)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,10H2,(H,12,13)
InChIKeyVFWVCNABVVHCKS-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.77
Rot. Bonds1

About 1H-indole-4-carbohydrazide

1H-indole-4-carbohydrazide (PubChem CID 43316644) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1H-indole-4-carbohydrazide.

Molecular Properties

Compound Name1H-indole-4-carbohydrazide
PubChem CID43316644
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1H-indole-4-carbohydrazide
SMILESNNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C9H9N3O/c10-12-9(13)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,10H2,(H,12,13)
InChIKeyVFWVCNABVVHCKS-UHFFFAOYSA-N
XLogP0.77
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1H-indole-4-carbonyl bromide
CID 175285982
N-(2-aminobutyl)-1H-indole-4-carboxamide
CID 63733452
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314
N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide
CID 115674677
N-(2-amino-2-ethylbutyl)-1H-indole-4-carboxamide
CID 115305746
methyl (2S)-3-hydroxy-2-(1H-indole-4-carbonylamino)propanoate
CID 152504979
1H-indole-4-carboxylate
CID 6951562
N-(2,6-dichlorophenyl)-1H-indole-4-carboxamide
CID 65499059
methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate
CID 103957814
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617
N-(1,3-thiazol-5-ylmethyl)-1H-indole-4-carboxamide
CID 104583473

Frequently Asked Questions

What is the IUPAC name of 1H-indole-4-carbohydrazide?
The IUPAC name of 1H-indole-4-carbohydrazide (CID 43316644) is 1H-indole-4-carbohydrazide.
What is the SMILES notation for 1H-indole-4-carbohydrazide?
The canonical SMILES for 1H-indole-4-carbohydrazide is NNC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of 1H-indole-4-carbohydrazide?
The InChIKey is VFWVCNABVVHCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-12-9(13)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,10H2,(H,12,13).
What are the key properties of 1H-indole-4-carbohydrazide?
1H-indole-4-carbohydrazide has a molecular weight of 175.19 g/mol, XLogP of 0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-4-carbohydrazide is sourced from PubChem (CID 43316644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).