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

C16H12ClN5 — CID 15990174

IUPACN-(5-chloro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCc1ccc(Cl)cc1Nc1nc2ccccc2c2nncn12
InChIInChI=1S/C16H12ClN5/c1-10-6-7-11(17)8-14(10)20-16-19-13-5-3-2-4-12(13)15-21-18-9-22(15)16/h2-9H,1H3,(H,19,20)
InChIKeyINFZUTCHPZRSME-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.98
Rot. Bonds2

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

N-(5-chloro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (PubChem CID 15990174) has the molecular formula C16H12ClN5 and a molecular weight of 309.76 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
PubChem CID15990174
Molecular FormulaC16H12ClN5
Molecular Weight309.76 g/mol
Exact Mass309.08
IUPAC NameN-(5-chloro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCc1ccc(Cl)cc1Nc1nc2ccccc2c2nncn12
InChIInChI=1S/C16H12ClN5/c1-10-6-7-11(17)8-14(10)20-16-19-13-5-3-2-4-12(13)15-21-18-9-22(15)16/h2-9H,1H3,(H,19,20)
InChIKeyINFZUTCHPZRSME-UHFFFAOYSA-N
XLogP3.98
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (CID 15990174) is N-(5-chloro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is Cc1ccc(Cl)cc1Nc1nc2ccccc2c2nncn12.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The InChIKey is INFZUTCHPZRSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5/c1-10-6-7-11(17)8-14(10)20-16-19-13-5-3-2-4-12(13)15-21-18-9-22(15)16/h2-9H,1H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
N-(5-chloro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine has a molecular weight of 309.76 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is sourced from PubChem (CID 15990174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).