N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine

C18H16N6 — CID 133332022

IUPACN-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine
SMILESCn1ncnc1CNc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H16N6/c1-24-16(20-12-21-24)11-19-18-14-9-5-6-10-15(14)22-17(23-18)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,22,23)
InChIKeyMRQLPIJWTIKBST-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.04
Rot. Bonds4

About N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine

N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine (PubChem CID 133332022) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine
PubChem CID133332022
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC NameN-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine
SMILESCn1ncnc1CNc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H16N6/c1-24-16(20-12-21-24)11-19-18-14-9-5-6-10-15(14)22-17(23-18)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,22,23)
InChIKeyMRQLPIJWTIKBST-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine?
The IUPAC name of N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine (CID 133332022) is N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine?
The canonical SMILES for N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine is Cn1ncnc1CNc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine?
The InChIKey is MRQLPIJWTIKBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-24-16(20-12-21-24)11-19-18-14-9-5-6-10-15(14)22-17(23-18)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,22,23).
What are the key properties of N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine?
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine has a molecular weight of 316.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylquinazolin-4-amine is sourced from PubChem (CID 133332022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).