3-amino-4-methoxy-1H-indole-2-carbohydrazide

C10H12N4O2 — CID 931776

IUPAC3-amino-4-methoxy-1H-indole-2-carbohydrazide
SMILESCOc1cccc2[nH]c(C(=O)NN)c(N)c12
InChIInChI=1S/C10H12N4O2/c1-16-6-4-2-3-5-7(6)8(11)9(13-5)10(15)14-12/h2-4,13H,11-12H2,1H3,(H,14,15)
InChIKeyKKEAIGKIYWJFSC-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.36
Rot. Bonds2

About 3-amino-4-methoxy-1H-indole-2-carbohydrazide

3-amino-4-methoxy-1H-indole-2-carbohydrazide (PubChem CID 931776) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-amino-4-methoxy-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name3-amino-4-methoxy-1H-indole-2-carbohydrazide
PubChem CID931776
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-amino-4-methoxy-1H-indole-2-carbohydrazide
SMILESCOc1cccc2[nH]c(C(=O)NN)c(N)c12
InChIInChI=1S/C10H12N4O2/c1-16-6-4-2-3-5-7(6)8(11)9(13-5)10(15)14-12/h2-4,13H,11-12H2,1H3,(H,14,15)
InChIKeyKKEAIGKIYWJFSC-UHFFFAOYSA-N
XLogP0.36
TPSA106.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-4-methoxy-1H-indole-2-carbohydrazide?
The IUPAC name of 3-amino-4-methoxy-1H-indole-2-carbohydrazide (CID 931776) is 3-amino-4-methoxy-1H-indole-2-carbohydrazide.
What is the SMILES notation for 3-amino-4-methoxy-1H-indole-2-carbohydrazide?
The canonical SMILES for 3-amino-4-methoxy-1H-indole-2-carbohydrazide is COc1cccc2[nH]c(C(=O)NN)c(N)c12.
What is the InChIKey of 3-amino-4-methoxy-1H-indole-2-carbohydrazide?
The InChIKey is KKEAIGKIYWJFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-16-6-4-2-3-5-7(6)8(11)9(13-5)10(15)14-12/h2-4,13H,11-12H2,1H3,(H,14,15).
What are the key properties of 3-amino-4-methoxy-1H-indole-2-carbohydrazide?
3-amino-4-methoxy-1H-indole-2-carbohydrazide has a molecular weight of 220.23 g/mol, XLogP of 0.36, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-1H-indole-2-carbohydrazide is sourced from PubChem (CID 931776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).