4-(dimethylamino)naphthalene-1-carbohydrazide

C13H15N3O — CID 58897573

IUPAC4-(dimethylamino)naphthalene-1-carbohydrazide
SMILESCN(C)c1ccc(C(=O)NN)c2ccccc12
InChIInChI=1S/C13H15N3O/c1-16(2)12-8-7-11(13(17)15-14)9-5-3-4-6-10(9)12/h3-8H,14H2,1-2H3,(H,15,17)
InChIKeyDFQJYOVBHGJTDR-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.51
Rot. Bonds2

About 4-(dimethylamino)naphthalene-1-carbohydrazide

4-(dimethylamino)naphthalene-1-carbohydrazide (PubChem CID 58897573) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(dimethylamino)naphthalene-1-carbohydrazide.

Molecular Properties

Compound Name4-(dimethylamino)naphthalene-1-carbohydrazide
PubChem CID58897573
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-(dimethylamino)naphthalene-1-carbohydrazide
SMILESCN(C)c1ccc(C(=O)NN)c2ccccc12
InChIInChI=1S/C13H15N3O/c1-16(2)12-8-7-11(13(17)15-14)9-5-3-4-6-10(9)12/h3-8H,14H2,1-2H3,(H,15,17)
InChIKeyDFQJYOVBHGJTDR-UHFFFAOYSA-N
XLogP1.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(dimethylamino)naphthalene-1-carboxylate
CID 7005026
methyl 5-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]hexanoate
CID 57495429
4-(dimethylamino)-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-1-carboxamide
CID 171679544
5-bromonaphthalene-1-carbohydrazide
CID 22115886
1-hydrazinylisoquinoline-4-carbohydrazide
CID 165346130
acetic acid;benzene-1,2-dicarbohydrazide
CID 174566374
[4-(dimethylamino)naphthalen-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 44580815
1-[4-(dimethylamino)naphthalene-1-carbonyl]cyclohexane-1-carboxylic acid
CID 70131556
[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-[4-(dimethylamino)naphthalen-1-yl]methanone
CID 135115065
anthracene-9,10-dicarbohydrazide
CID 139611931
4-(dimethylamino)naphthalene-1-carboxylic acid;methyl 3-aminopyrazine-2-carboxylate;methyl 3-[[4-(dimethylamino)naphthalene-1-carbonyl]amino]pyrazine-2-carboxylate
CID 159217972
4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
CID 164662948

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)naphthalene-1-carbohydrazide?
The IUPAC name of 4-(dimethylamino)naphthalene-1-carbohydrazide (CID 58897573) is 4-(dimethylamino)naphthalene-1-carbohydrazide.
What is the SMILES notation for 4-(dimethylamino)naphthalene-1-carbohydrazide?
The canonical SMILES for 4-(dimethylamino)naphthalene-1-carbohydrazide is CN(C)c1ccc(C(=O)NN)c2ccccc12.
What is the InChIKey of 4-(dimethylamino)naphthalene-1-carbohydrazide?
The InChIKey is DFQJYOVBHGJTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16(2)12-8-7-11(13(17)15-14)9-5-3-4-6-10(9)12/h3-8H,14H2,1-2H3,(H,15,17).
What are the key properties of 4-(dimethylamino)naphthalene-1-carbohydrazide?
4-(dimethylamino)naphthalene-1-carbohydrazide has a molecular weight of 229.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)naphthalene-1-carbohydrazide is sourced from PubChem (CID 58897573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).