3-(1-methylpyrrol-3-yl)-1H-indazol-5-amine

C12H12N4 — CID 168727952

IUPAC3-(1-methylpyrrol-3-yl)-1H-indazol-5-amine
SMILESCn1ccc(-c2n[nH]c3ccc(N)cc23)c1
InChIInChI=1S/C12H12N4/c1-16-5-4-8(7-16)12-10-6-9(13)2-3-11(10)14-15-12/h2-7H,13H2,1H3,(H,14,15)
InChIKeyZTLMKCXUOXORSZ-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.15
Rot. Bonds1

About 3-(1-methylpyrrol-3-yl)-1H-indazol-5-amine

3-(1-methylpyrrol-3-yl)-1H-indazol-5-amine (PubChem CID 168727952) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 3-(1-methylpyrrol-3-yl)-1H-indazol-5-amine.

Molecular Properties

Compound Name3-(1-methylpyrrol-3-yl)-1H-indazol-5-amine
PubChem CID168727952
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name3-(1-methylpyrrol-3-yl)-1H-indazol-5-amine
SMILESCn1ccc(-c2n[nH]c3ccc(N)cc23)c1
InChIInChI=1S/C12H12N4/c1-16-5-4-8(7-16)12-10-6-9(13)2-3-11(10)14-15-12/h2-7H,13H2,1H3,(H,14,15)
InChIKeyZTLMKCXUOXORSZ-UHFFFAOYSA-N
XLogP2.15
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(1-methylpyrrol-3-yl)-1H-indazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrol-3-yl)-1H-indazol-5-amine?
The IUPAC name of 3-(1-methylpyrrol-3-yl)-1H-indazol-5-amine (CID 168727952) is 3-(1-methylpyrrol-3-yl)-1H-indazol-5-amine.
What is the SMILES notation for 3-(1-methylpyrrol-3-yl)-1H-indazol-5-amine?
The canonical SMILES for 3-(1-methylpyrrol-3-yl)-1H-indazol-5-amine is Cn1ccc(-c2n[nH]c3ccc(N)cc23)c1.
What is the InChIKey of 3-(1-methylpyrrol-3-yl)-1H-indazol-5-amine?
The InChIKey is ZTLMKCXUOXORSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-16-5-4-8(7-16)12-10-6-9(13)2-3-11(10)14-15-12/h2-7H,13H2,1H3,(H,14,15).
What are the key properties of 3-(1-methylpyrrol-3-yl)-1H-indazol-5-amine?
3-(1-methylpyrrol-3-yl)-1H-indazol-5-amine has a molecular weight of 212.26 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrol-3-yl)-1H-indazol-5-amine is sourced from PubChem (CID 168727952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).