2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one

C19H24N4O3 — CID 135832417

IUPAC2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3nc(CCCO)nn32)o1
InChIInChI=1S/C19H24N4O3/c1-11-6-7-14(26-11)17-16-12(9-19(2,3)10-13(16)25)20-18-21-15(5-4-8-24)22-23(17)18/h6-7,17,24H,4-5,8-10H2,1-3H3,(H,20,21,22)
InChIKeyLHPXJPMYDXMEBJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.76
Rot. Bonds4

About 2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one

2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one (PubChem CID 135832417) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
PubChem CID135832417
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3nc(CCCO)nn32)o1
InChIInChI=1S/C19H24N4O3/c1-11-6-7-14(26-11)17-16-12(9-19(2,3)10-13(16)25)20-18-21-15(5-4-8-24)22-23(17)18/h6-7,17,24H,4-5,8-10H2,1-3H3,(H,20,21,22)
InChIKeyLHPXJPMYDXMEBJ-UHFFFAOYSA-N
XLogP2.76
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one with MolForge

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Related Compounds

2-(3-hydroxypropyl)-9-(5-methylfuran-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135748697
9-(4-fluorophenyl)-2-(3-hydroxypropyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135600813
6,6-dimethyl-9-(5-methylfuran-2-yl)-2-pyridin-4-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135581087
9-(2-ethoxyphenyl)-2-(3-hydroxypropyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135813581
2-(4-tert-butylphenyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135832309
2-(4-ethoxyphenyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135670492
6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135693031
9-(4-hydroxyphenyl)-2-(3-hydroxypropyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135713389
9-(4-fluorophenyl)-2-(3-hydroxypropyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135582208
1-(4,6-dimethylpyrimidin-2-yl)-3,7,7-trimethyl-4-(5-methylfuran-2-yl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one;ethanol
CID 135676213
2-(4-hydroxyphenyl)-9-(5-methylfuran-2-yl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135549020
(6S)-5-acetyl-9,9-dimethyl-6-(5-methylfuran-2-yl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CID 1219640

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CID 135832417) is 2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one is Cc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3nc(CCCO)nn32)o1.
What is the InChIKey of 2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The InChIKey is LHPXJPMYDXMEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11-6-7-14(26-11)17-16-12(9-19(2,3)10-13(16)25)20-18-21-15(5-4-8-24)22-23(17)18/h6-7,17,24H,4-5,8-10H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one has a molecular weight of 356.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-6,6-dimethyl-9-(5-methylfuran-2-yl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 135832417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).