3-(2-pyridin-2-ylethenyl)-1H-indazol-6-amine

C14H12N4 — CID 69464204

IUPAC3-(2-pyridin-2-ylethenyl)-1H-indazol-6-amine
SMILESNc1ccc2c(C=Cc3ccccn3)n[nH]c2c1
InChIInChI=1S/C14H12N4/c15-10-4-6-12-13(17-18-14(12)9-10)7-5-11-3-1-2-8-16-11/h1-9H,15H2,(H,17,18)
InChIKeyREICRRJVDHXCMP-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.71
Rot. Bonds2

About 3-(2-pyridin-2-ylethenyl)-1H-indazol-6-amine

3-(2-pyridin-2-ylethenyl)-1H-indazol-6-amine (PubChem CID 69464204) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylethenyl)-1H-indazol-6-amine.

Molecular Properties

Compound Name3-(2-pyridin-2-ylethenyl)-1H-indazol-6-amine
PubChem CID69464204
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name3-(2-pyridin-2-ylethenyl)-1H-indazol-6-amine
SMILESNc1ccc2c(C=Cc3ccccn3)n[nH]c2c1
InChIInChI=1S/C14H12N4/c15-10-4-6-12-13(17-18-14(12)9-10)7-5-11-3-1-2-8-16-11/h1-9H,15H2,(H,17,18)
InChIKeyREICRRJVDHXCMP-UHFFFAOYSA-N
XLogP2.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylethenyl)-1H-indazol-6-amine?
The IUPAC name of 3-(2-pyridin-2-ylethenyl)-1H-indazol-6-amine (CID 69464204) is 3-(2-pyridin-2-ylethenyl)-1H-indazol-6-amine.
What is the SMILES notation for 3-(2-pyridin-2-ylethenyl)-1H-indazol-6-amine?
The canonical SMILES for 3-(2-pyridin-2-ylethenyl)-1H-indazol-6-amine is Nc1ccc2c(C=Cc3ccccn3)n[nH]c2c1.
What is the InChIKey of 3-(2-pyridin-2-ylethenyl)-1H-indazol-6-amine?
The InChIKey is REICRRJVDHXCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-10-4-6-12-13(17-18-14(12)9-10)7-5-11-3-1-2-8-16-11/h1-9H,15H2,(H,17,18).
What are the key properties of 3-(2-pyridin-2-ylethenyl)-1H-indazol-6-amine?
3-(2-pyridin-2-ylethenyl)-1H-indazol-6-amine has a molecular weight of 236.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylethenyl)-1H-indazol-6-amine is sourced from PubChem (CID 69464204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).