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'}

Analyze 3-amino-4-methoxy-1H-indole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methoxy-5H-pyrimido[5,4-b]indol-4-ol
CID 135448689
3-amino-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
CID 814546
Ethyl 3-amino-5-methoxy-1H-indole-2-carboxylate
CID 814476
9-Methoxy-3-(3-morpholin-4-yl-propyl)-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 945870
5-(trifluoromethoxy)-1H-indole-2-carbohydrazide
CID 2822848
4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
CID 4912552
N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide
CID 4971710
4-methoxy-N-(tetrahydrofuran-2-ylmethyl)-1H-indole-2-carboxamide
CID 4974998
ethyl 3-acetamido-5-methoxy-1H-indole-2-carboxylate
CID 645049
3-(3-ethoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
CID 662745
methyl 3-((ethoxycarbonyl)amino)-4-methoxy-1H-indole-2-carboxylate
CID 664557
methyl 4-methoxy-3-[(morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate
CID 664620

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).