3-amino-5-methyl-1H-indole-2-carbohydrazide

C10H12N4O — CID 933858

IUPAC3-amino-5-methyl-1H-indole-2-carbohydrazide
SMILESCc1ccc2[nH]c(C(=O)NN)c(N)c2c1
InChIInChI=1S/C10H12N4O/c1-5-2-3-7-6(4-5)8(11)9(13-7)10(15)14-12/h2-4,13H,11-12H2,1H3,(H,14,15)
InChIKeyUARRERAXJPWNAE-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.66
Rot. Bonds1

About 3-amino-5-methyl-1H-indole-2-carbohydrazide

3-amino-5-methyl-1H-indole-2-carbohydrazide (PubChem CID 933858) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-amino-5-methyl-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name3-amino-5-methyl-1H-indole-2-carbohydrazide
PubChem CID933858
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-amino-5-methyl-1H-indole-2-carbohydrazide
SMILESCc1ccc2[nH]c(C(=O)NN)c(N)c2c1
InChIInChI=1S/C10H12N4O/c1-5-2-3-7-6(4-5)8(11)9(13-7)10(15)14-12/h2-4,13H,11-12H2,1H3,(H,14,15)
InChIKeyUARRERAXJPWNAE-UHFFFAOYSA-N
XLogP0.66
TPSA96.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.66
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-1H-indole-2-carbohydrazide?
The IUPAC name of 3-amino-5-methyl-1H-indole-2-carbohydrazide (CID 933858) is 3-amino-5-methyl-1H-indole-2-carbohydrazide.
What is the SMILES notation for 3-amino-5-methyl-1H-indole-2-carbohydrazide?
The canonical SMILES for 3-amino-5-methyl-1H-indole-2-carbohydrazide is Cc1ccc2[nH]c(C(=O)NN)c(N)c2c1.
What is the InChIKey of 3-amino-5-methyl-1H-indole-2-carbohydrazide?
The InChIKey is UARRERAXJPWNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-5-2-3-7-6(4-5)8(11)9(13-7)10(15)14-12/h2-4,13H,11-12H2,1H3,(H,14,15).
What are the key properties of 3-amino-5-methyl-1H-indole-2-carbohydrazide?
3-amino-5-methyl-1H-indole-2-carbohydrazide has a molecular weight of 204.23 g/mol, XLogP of 0.66, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-1H-indole-2-carbohydrazide is sourced from PubChem (CID 933858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).