4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine

C15H12N6 — CID 23366754

IUPAC4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc4[nH]ncc4c3)c2c1
InChIInChI=1S/C15H12N6/c16-10-1-3-14-12(6-10)15(18-8-17-14)20-11-2-4-13-9(5-11)7-19-21-13/h1-8H,16H2,(H,19,21)(H,17,18,20)
InChIKeyRFVXEKMIQPNTFL-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.83
Rot. Bonds2

About 4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine

4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine (PubChem CID 23366754) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine
PubChem CID23366754
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc4[nH]ncc4c3)c2c1
InChIInChI=1S/C15H12N6/c16-10-1-3-14-12(6-10)15(18-8-17-14)20-11-2-4-13-9(5-11)7-19-21-13/h1-8H,16H2,(H,19,21)(H,17,18,20)
InChIKeyRFVXEKMIQPNTFL-UHFFFAOYSA-N
XLogP2.83
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine (CID 23366754) is 4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine is Nc1ccc2ncnc(Nc3ccc4[nH]ncc4c3)c2c1.
What is the InChIKey of 4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine?
The InChIKey is RFVXEKMIQPNTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c16-10-1-3-14-12(6-10)15(18-8-17-14)20-11-2-4-13-9(5-11)7-19-21-13/h1-8H,16H2,(H,19,21)(H,17,18,20).
What are the key properties of 4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine?
4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine has a molecular weight of 276.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine is sourced from PubChem (CID 23366754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).