2-(4-bromophenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline

C19H17BrN4 — CID 10156654

IUPAC2-(4-bromophenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCCCCc1nc2ccccc2c2nc(-c3ccc(Br)cc3)nn12
InChIInChI=1S/C19H17BrN4/c1-2-3-8-17-21-16-7-5-4-6-15(16)19-22-18(23-24(17)19)13-9-11-14(20)12-10-13/h4-7,9-12H,2-3,8H2,1H3
InChIKeyWCRWQPZNNMWWDZ-UHFFFAOYSA-N
MW381.28 g/mol
LogP5.05
Rot. Bonds4

About 2-(4-bromophenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline

2-(4-bromophenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 10156654) has the molecular formula C19H17BrN4 and a molecular weight of 381.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID10156654
Molecular FormulaC19H17BrN4
Molecular Weight381.28 g/mol
Exact Mass380.06
IUPAC Name2-(4-bromophenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCCCCc1nc2ccccc2c2nc(-c3ccc(Br)cc3)nn12
InChIInChI=1S/C19H17BrN4/c1-2-3-8-17-21-16-7-5-4-6-15(16)19-22-18(23-24(17)19)13-9-11-14(20)12-10-13/h4-7,9-12H,2-3,8H2,1H3
InChIKeyWCRWQPZNNMWWDZ-UHFFFAOYSA-N
XLogP5.05
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.28
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Bromophenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2804214
2-(2-Bromophenyl)[1,2,4]triazolo[1,5-c]quinazoline
CID 19583172
5-Methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-ylamine
CID 607943
5-Propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine
CID 893376
5,6,6a,11-Tetraaza-benzo[a]fluorene
CID 285054
5-(4-Bromophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1293752
N-[2-(4-methylphenyl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010788
5-Butyl-2-(4-chloro-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 9902350
5-Butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 10131882
2-(4-Bromo-phenyl)-5-butyl-9-chloro-[1,2,4]triazolo[1,5-c]quinazoline
CID 10180118
5-Butyl-8-chloro-2-(4-chloro-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 17863131
5-Butyl-9-chloro-2-(4-chloro-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 17863158

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-(4-bromophenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline (CID 10156654) is 2-(4-bromophenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-(4-bromophenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-(4-bromophenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline is CCCCc1nc2ccccc2c2nc(-c3ccc(Br)cc3)nn12.
What is the InChIKey of 2-(4-bromophenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is WCRWQPZNNMWWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4/c1-2-3-8-17-21-16-7-5-4-6-15(16)19-22-18(23-24(17)19)13-9-11-14(20)12-10-13/h4-7,9-12H,2-3,8H2,1H3.
What are the key properties of 2-(4-bromophenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline?
2-(4-bromophenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 381.28 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 10156654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).