N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine

C18H16N6 — CID 24623530

IUPACN-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine
SMILESCC(Nc1ncnc2ccccc12)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H16N6/c1-13(14-6-8-15(9-7-14)24-12-19-10-22-24)23-18-16-4-2-3-5-17(16)20-11-21-18/h2-13H,1H3,(H,20,21,23)
InChIKeySAJGADALXOFWKI-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.38
Rot. Bonds4

About N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine

N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine (PubChem CID 24623530) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine
PubChem CID24623530
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC NameN-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine
SMILESCC(Nc1ncnc2ccccc12)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H16N6/c1-13(14-6-8-15(9-7-14)24-12-19-10-22-24)23-18-16-4-2-3-5-17(16)20-11-21-18/h2-13H,1H3,(H,20,21,23)
InChIKeySAJGADALXOFWKI-UHFFFAOYSA-N
XLogP3.38
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine (CID 24623530) is N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine is CC(Nc1ncnc2ccccc12)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine?
The InChIKey is SAJGADALXOFWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-13(14-6-8-15(9-7-14)24-12-19-10-22-24)23-18-16-4-2-3-5-17(16)20-11-21-18/h2-13H,1H3,(H,20,21,23).
What are the key properties of N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine?
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine has a molecular weight of 316.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 24623530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).