5-butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline

C19H17ClN4 — CID 10131882

IUPAC5-butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCCCCc1nc2ccc(Cl)cc2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C19H17ClN4/c1-2-3-9-17-21-16-11-10-14(20)12-15(16)19-22-18(23-24(17)19)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3
InChIKeyPEZCSWMLDAUORD-UHFFFAOYSA-N
MW336.83 g/mol
LogP4.94
Rot. Bonds4

About 5-butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline

5-butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 10131882) has the molecular formula C19H17ClN4 and a molecular weight of 336.83 g/mol. Its IUPAC name is 5-butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID10131882
Molecular FormulaC19H17ClN4
Molecular Weight336.83 g/mol
Exact Mass336.11
IUPAC Name5-butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCCCCc1nc2ccc(Cl)cc2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C19H17ClN4/c1-2-3-9-17-21-16-11-10-14(20)12-15(16)19-22-18(23-24(17)19)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3
InChIKeyPEZCSWMLDAUORD-UHFFFAOYSA-N
XLogP4.94
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 5-butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline (CID 10131882) is 5-butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 5-butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline is CCCCc1nc2ccc(Cl)cc2c2nc(-c3ccccc3)nn12.
What is the InChIKey of 5-butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is PEZCSWMLDAUORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4/c1-2-3-9-17-21-16-11-10-14(20)12-15(16)19-22-18(23-24(17)19)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3.
What are the key properties of 5-butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline?
5-butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 336.83 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-9-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 10131882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).