6,6-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydroindol-4-one

C15H20N4O — CID 64530173

IUPAC6,6-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2ccn(CCCc3ncn[nH]3)c2C1
InChIInChI=1S/C15H20N4O/c1-15(2)8-12-11(13(20)9-15)5-7-19(12)6-3-4-14-16-10-17-18-14/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,16,17,18)
InChIKeyGYIXYXSZOXAYCY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.39
Rot. Bonds4

About 6,6-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydroindol-4-one

6,6-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydroindol-4-one (PubChem CID 64530173) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6,6-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydroindol-4-one
PubChem CID64530173
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6,6-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2ccn(CCCc3ncn[nH]3)c2C1
InChIInChI=1S/C15H20N4O/c1-15(2)8-12-11(13(20)9-15)5-7-19(12)6-3-4-14-16-10-17-18-14/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,16,17,18)
InChIKeyGYIXYXSZOXAYCY-UHFFFAOYSA-N
XLogP2.39
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one
CID 113287789
1-(2-cyclopentylethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 55191900
6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one
CID 106039210
6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one
CID 62640255
6,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one
CID 55261214
1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63465339
5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210020
4,4-dimethyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine-2,6-dione
CID 60977441
3,4-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2,5-dione
CID 64531334
2,6,6-trimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydro-4H-indol-4-amine
CID 64530565
1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one
CID 83113945
6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one
CID 114701766

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydroindol-4-one?
The IUPAC name of 6,6-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydroindol-4-one (CID 64530173) is 6,6-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydroindol-4-one.
What is the SMILES notation for 6,6-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydroindol-4-one?
The canonical SMILES for 6,6-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydroindol-4-one is CC1(C)CC(=O)c2ccn(CCCc3ncn[nH]3)c2C1.
What is the InChIKey of 6,6-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydroindol-4-one?
The InChIKey is GYIXYXSZOXAYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2)8-12-11(13(20)9-15)5-7-19(12)6-3-4-14-16-10-17-18-14/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 6,6-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydroindol-4-one?
6,6-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydroindol-4-one has a molecular weight of 272.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydroindol-4-one is sourced from PubChem (CID 64530173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).