6,7-diethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine

C20H20N6O2 — CID 10215809

IUPAC6,7-diethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4ncn[nH]4)c3)c2cc1OCC
InChIInChI=1S/C20H20N6O2/c1-3-27-17-9-15-16(10-18(17)28-4-2)21-11-22-20(15)25-14-7-5-6-13(8-14)19-23-12-24-26-19/h5-12H,3-4H2,1-2H3,(H,21,22,25)(H,23,24,26)
InChIKeyWGTILZRWWWHQLO-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.96
Rot. Bonds7

About 6,7-diethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine

6,7-diethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine (PubChem CID 10215809) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 6,7-diethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine
PubChem CID10215809
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name6,7-diethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4ncn[nH]4)c3)c2cc1OCC
InChIInChI=1S/C20H20N6O2/c1-3-27-17-9-15-16(10-18(17)28-4-2)21-11-22-20(15)25-14-7-5-6-13(8-14)19-23-12-24-26-19/h5-12H,3-4H2,1-2H3,(H,21,22,25)(H,23,24,26)
InChIKeyWGTILZRWWWHQLO-UHFFFAOYSA-N
XLogP3.96
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine (CID 10215809) is 6,7-diethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine is CCOc1cc2ncnc(Nc3cccc(-c4ncn[nH]4)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine?
The InChIKey is WGTILZRWWWHQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-3-27-17-9-15-16(10-18(17)28-4-2)21-11-22-20(15)25-14-7-5-6-13(8-14)19-23-12-24-26-19/h5-12H,3-4H2,1-2H3,(H,21,22,25)(H,23,24,26).
What are the key properties of 6,7-diethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine?
6,7-diethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine has a molecular weight of 376.42 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10215809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).