1-(9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-3-(3-methylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

C28H29N3O3 — CID 163505377

IUPAC1-(9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-3-(3-methylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCC(C)CCN1CN(C23c4ccccc4CC2Cc2ccccc23)n2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C28H29N3O3/c1-18(2)11-13-29-17-31(30-14-12-24(32)26(33)25(30)27(29)34)28-21(15-19-7-3-5-9-22(19)28)16-20-8-4-6-10-23(20)28/h3-10,12,14,18,21,33H,11,13,15-17H2,1-2H3
InChIKeyHECGFLARORMDKC-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.62
Rot. Bonds4

About 1-(9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-3-(3-methylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

1-(9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-3-(3-methylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 163505377) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 1-(9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-3-(3-methylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name1-(9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-3-(3-methylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID163505377
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name1-(9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-3-(3-methylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESCC(C)CCN1CN(C23c4ccccc4CC2Cc2ccccc23)n2ccc(=O)c(O)c2C1=O
InChIInChI=1S/C28H29N3O3/c1-18(2)11-13-29-17-31(30-14-12-24(32)26(33)25(30)27(29)34)28-21(15-19-7-3-5-9-22(19)28)16-20-8-4-6-10-23(20)28/h3-10,12,14,18,21,33H,11,13,15-17H2,1-2H3
InChIKeyHECGFLARORMDKC-UHFFFAOYSA-N
XLogP3.62
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-3-(3-methylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione with MolForge

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Related Compounds

3-(cyclopropylmethyl)-1-(2,3-difluoro-9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 146443855
5-hydroxy-3-(2-hydroxyethyl)-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 70368790
N-[2-(1-benzhydryl-5-hydroxy-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazin-3-yl)ethyl]methanesulfonamide
CID 70370125
5-hydroxy-3-methyl-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;propane-2-thiol
CID 162689022
5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3-[2-(trifluoromethoxy)ethyl]-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 70368725
1-(1,3-diphenylpropyl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 67471695
1-benzhydryl-6-hydroxy-3-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-b][1,2,5]triazepine-5,7-dione;hydrochloride
CID 175073152
3-[(4-fluorophenyl)methyl]-5-hydroxy-1-(1-phenylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 77298155
1-(5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-5-hydroxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 70368768
5-hydroxy-1-[(11S)-5-oxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-3-(2,2,2-trifluoroethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 70368676
1-(2-fluoro-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-5-hydroxy-3-(2-methoxyethyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 70368801
(3R,4S,7S)-4-amino-11-hydroxy-8-methyl-3-phenyl-1,2,8-triazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-9,12-dione
CID 162689083

Frequently Asked Questions

What is the IUPAC name of 1-(9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-3-(3-methylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 1-(9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-3-(3-methylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 163505377) is 1-(9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-3-(3-methylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 1-(9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-3-(3-methylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 1-(9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-3-(3-methylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is CC(C)CCN1CN(C23c4ccccc4CC2Cc2ccccc23)n2ccc(=O)c(O)c2C1=O.
What is the InChIKey of 1-(9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-3-(3-methylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is HECGFLARORMDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-18(2)11-13-29-17-31(30-14-12-24(32)26(33)25(30)27(29)34)28-21(15-19-7-3-5-9-22(19)28)16-20-8-4-6-10-23(20)28/h3-10,12,14,18,21,33H,11,13,15-17H2,1-2H3.
What are the key properties of 1-(9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-3-(3-methylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
1-(9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-3-(3-methylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 455.56 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9a,10-dihydro-9H-indeno[1,2-a]inden-4b-yl)-5-hydroxy-3-(3-methylbutyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 163505377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).