N-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C23H25N5 — CID 20880484

IUPACN-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCc1cccc(-c2nc3c4ccccc4nc(NC4CCCCCC4)n3n2)c1
InChIInChI=1S/C23H25N5/c1-16-9-8-10-17(15-16)21-26-22-19-13-6-7-14-20(19)25-23(28(22)27-21)24-18-11-4-2-3-5-12-18/h6-10,13-15,18H,2-5,11-12H2,1H3,(H,24,25)
InChIKeyLSODWGBNKWKJIC-UHFFFAOYSA-N
MW371.49 g/mol
LogP5.39
Rot. Bonds3

About N-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

N-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 20880484) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID20880484
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC NameN-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCc1cccc(-c2nc3c4ccccc4nc(NC4CCCCCC4)n3n2)c1
InChIInChI=1S/C23H25N5/c1-16-9-8-10-17(15-16)21-26-22-19-13-6-7-14-20(19)25-23(28(22)27-21)24-18-11-4-2-3-5-12-18/h6-10,13-15,18H,2-5,11-12H2,1H3,(H,24,25)
InChIKeyLSODWGBNKWKJIC-UHFFFAOYSA-N
XLogP5.39
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.49
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of N-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 20880484) is N-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for N-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for N-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is Cc1cccc(-c2nc3c4ccccc4nc(NC4CCCCCC4)n3n2)c1.
What is the InChIKey of N-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is LSODWGBNKWKJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c1-16-9-8-10-17(15-16)21-26-22-19-13-6-7-14-20(19)25-23(28(22)27-21)24-18-11-4-2-3-5-12-18/h6-10,13-15,18H,2-5,11-12H2,1H3,(H,24,25).
What are the key properties of N-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
N-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 371.49 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 20880484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).