N-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine

C21H21N5 — CID 16811836

IUPACN-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCc1ccc(-c2nnn3c2nc(NC2CCCC2)c2ccccc23)cc1
InChIInChI=1S/C21H21N5/c1-14-10-12-15(13-11-14)19-21-23-20(22-16-6-2-3-7-16)17-8-4-5-9-18(17)26(21)25-24-19/h4-5,8-13,16H,2-3,6-7H2,1H3,(H,22,23)
InChIKeyKFVIQRUXMCJNAL-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.61
Rot. Bonds3

About N-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine

N-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine (PubChem CID 16811836) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine
PubChem CID16811836
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC NameN-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCc1ccc(-c2nnn3c2nc(NC2CCCC2)c2ccccc23)cc1
InChIInChI=1S/C21H21N5/c1-14-10-12-15(13-11-14)19-21-23-20(22-16-6-2-3-7-16)17-8-4-5-9-18(17)26(21)25-24-19/h4-5,8-13,16H,2-3,6-7H2,1H3,(H,22,23)
InChIKeyKFVIQRUXMCJNAL-UHFFFAOYSA-N
XLogP4.61
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine (CID 16811836) is N-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine is Cc1ccc(-c2nnn3c2nc(NC2CCCC2)c2ccccc23)cc1.
What is the InChIKey of N-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is KFVIQRUXMCJNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-14-10-12-15(13-11-14)19-21-23-20(22-16-6-2-3-7-16)17-8-4-5-9-18(17)26(21)25-24-19/h4-5,8-13,16H,2-3,6-7H2,1H3,(H,22,23).
What are the key properties of N-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine?
N-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 343.43 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 16811836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).