4-(5-butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol

C19H18N4O — CID 135738656

IUPAC4-(5-butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol
SMILESCCCCc1nc2ccccc2c2nc(-c3ccc(O)cc3)nn12
InChIInChI=1S/C19H18N4O/c1-2-3-8-17-20-16-7-5-4-6-15(16)19-21-18(22-23(17)19)13-9-11-14(24)12-10-13/h4-7,9-12,24H,2-3,8H2,1H3
InChIKeyLNTJHSDODUWPHB-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.99
Rot. Bonds4

About 4-(5-butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol

4-(5-butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol (PubChem CID 135738656) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(5-butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol.

Molecular Properties

Compound Name4-(5-butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol
PubChem CID135738656
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-(5-butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol
SMILESCCCCc1nc2ccccc2c2nc(-c3ccc(O)cc3)nn12
InChIInChI=1S/C19H18N4O/c1-2-3-8-17-20-16-7-5-4-6-15(16)19-21-18(22-23(17)19)13-9-11-14(24)12-10-13/h4-7,9-12,24H,2-3,8H2,1H3
InChIKeyLNTJHSDODUWPHB-UHFFFAOYSA-N
XLogP3.99
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phtpp
CID 11201035
4-((6-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
Phenol, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
CID 3071213
4,4'-(5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2,3-diyl)diphenol
CID 135457889
2-[4-(1-Pyrrolidinyl)-2-quinazolinyl]phenol
CID 781262
4-[3-Phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol
CID 135409570
5-(2-Amino-[1,2,4]triazolo[1,5-C]quinazolin-5-Ylmethyl)-Benzene-1,3-Diol
CID 69927927
4-(1-{[2-(4-Methoxy-phenyl)-quinazolin-4-yl]-hydrazono}-ethyl)-phenol
CID 135558973
3-(4-Methoxyphenyl)-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
CID 938212
5-Butyl-2-(4-ethoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 10269139
5-Butyl-9-chloro-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 17863130
5-Butyl-8-chloro-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 17863136

Frequently Asked Questions

What is the IUPAC name of 4-(5-butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol?
The IUPAC name of 4-(5-butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol (CID 135738656) is 4-(5-butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol.
What is the SMILES notation for 4-(5-butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol?
The canonical SMILES for 4-(5-butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol is CCCCc1nc2ccccc2c2nc(-c3ccc(O)cc3)nn12.
What is the InChIKey of 4-(5-butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol?
The InChIKey is LNTJHSDODUWPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-2-3-8-17-20-16-7-5-4-6-15(16)19-21-18(22-23(17)19)13-9-11-14(24)12-10-13/h4-7,9-12,24H,2-3,8H2,1H3.
What are the key properties of 4-(5-butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol?
4-(5-butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol has a molecular weight of 318.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-butyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)phenol is sourced from PubChem (CID 135738656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).