3-(4-methylphenyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine

C19H19N5 — CID 20874463

IUPAC3-(4-methylphenyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine
SMILESCc1ccc(-c2nnn3c2nc(NC(C)C)c2ccccc23)cc1
InChIInChI=1S/C19H19N5/c1-12(2)20-18-15-6-4-5-7-16(15)24-19(21-18)17(22-23-24)14-10-8-13(3)9-11-14/h4-12H,1-3H3,(H,20,21)
InChIKeyQLCQYAUEEZNRFV-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.07
Rot. Bonds3

About 3-(4-methylphenyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine

3-(4-methylphenyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine (PubChem CID 20874463) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine
PubChem CID20874463
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name3-(4-methylphenyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine
SMILESCc1ccc(-c2nnn3c2nc(NC(C)C)c2ccccc23)cc1
InChIInChI=1S/C19H19N5/c1-12(2)20-18-15-6-4-5-7-16(15)24-19(21-18)17(22-23-24)14-10-8-13(3)9-11-14/h4-12H,1-3H3,(H,20,21)
InChIKeyQLCQYAUEEZNRFV-UHFFFAOYSA-N
XLogP4.07
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(4-methylphenyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine (CID 20874463) is 3-(4-methylphenyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine is Cc1ccc(-c2nnn3c2nc(NC(C)C)c2ccccc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine?
The InChIKey is QLCQYAUEEZNRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-12(2)20-18-15-6-4-5-7-16(15)24-19(21-18)17(22-23-24)14-10-8-13(3)9-11-14/h4-12H,1-3H3,(H,20,21).
What are the key properties of 3-(4-methylphenyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine?
3-(4-methylphenyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine has a molecular weight of 317.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 20874463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).