3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline

C19H17N5 — CID 46044977

IUPAC3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline
SMILESc1ccc(-c2nnc3c4ccccc4nc(N4CCCC4)n23)cc1
InChIInChI=1S/C19H17N5/c1-2-8-14(9-3-1)17-21-22-18-15-10-4-5-11-16(15)20-19(24(17)18)23-12-6-7-13-23/h1-5,8-11H,6-7,12-13H2
InChIKeyYFWBQJMCBRTVMD-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.54
Rot. Bonds2

About 3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline

3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 46044977) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID46044977
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline
SMILESc1ccc(-c2nnc3c4ccccc4nc(N4CCCC4)n23)cc1
InChIInChI=1S/C19H17N5/c1-2-8-14(9-3-1)17-21-22-18-15-10-4-5-11-16(15)20-19(24(17)18)23-12-6-7-13-23/h1-5,8-11H,6-7,12-13H2
InChIKeyYFWBQJMCBRTVMD-UHFFFAOYSA-N
XLogP3.54
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,4-diazepan-1-yl)-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 42852312
(2-fluorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]methanone
CID 42852363
[4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl]-phenylmethanone
CID 46045008
2-methyl-1-[(2R)-2-methyl-4-(3-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]propan-1-one
CID 92994057
3-(3-methylphenyl)-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 46064737
3-(4-methoxyphenyl)-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 42865011
N-ethyl-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-carboxamide
CID 42852425
cyclopentyl-[4-[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl]methanone
CID 46045091
(2-fluorophenyl)-[4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl]methanone
CID 46045102
[4-[3-(4-nitrophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]-phenylmethanone
CID 46158543
N,N-diethyl-1-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperidine-3-carboxamide
CID 42864653
(2S,6R)-2,6-dimethyl-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
CID 93329272

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline (CID 46044977) is 3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline is c1ccc(-c2nnc3c4ccccc4nc(N4CCCC4)n23)cc1.
What is the InChIKey of 3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is YFWBQJMCBRTVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-2-8-14(9-3-1)17-21-22-18-15-10-4-5-11-16(15)20-19(24(17)18)23-12-6-7-13-23/h1-5,8-11H,6-7,12-13H2.
What are the key properties of 3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline?
3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 315.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 46044977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).