3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one

C16H17ClN8O2 — CID 171665294

IUPAC3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
SMILESCc1ncn2c1C(=O)N(Cc1nnn(C[C@H](O)c3ccc(Cl)cc3)n1)CN2
InChIInChI=1S/C16H17ClN8O2/c1-10-15-16(27)23(9-19-24(15)8-18-10)7-14-20-22-25(21-14)6-13(26)11-2-4-12(17)5-3-11/h2-5,8,13,19,26H,6-7,9H2,1H3/t13-/m0/s1
InChIKeyZVQZHKGXOJMDAX-ZDUSSCGKSA-N
MW388.82 g/mol
LogP0.72
Rot. Bonds5

About 3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one

3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 171665294) has the molecular formula C16H17ClN8O2 and a molecular weight of 388.82 g/mol. Its IUPAC name is 3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID171665294
Molecular FormulaC16H17ClN8O2
Molecular Weight388.82 g/mol
Exact Mass388.12
IUPAC Name3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
SMILESCc1ncn2c1C(=O)N(Cc1nnn(C[C@H](O)c3ccc(Cl)cc3)n1)CN2
InChIInChI=1S/C16H17ClN8O2/c1-10-15-16(27)23(9-19-24(15)8-18-10)7-14-20-22-25(21-14)6-13(26)11-2-4-12(17)5-3-11/h2-5,8,13,19,26H,6-7,9H2,1H3/t13-/m0/s1
InChIKeyZVQZHKGXOJMDAX-ZDUSSCGKSA-N
XLogP0.72
TPSA113.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one 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

ethyl 1-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-2-hydroxy-3-methyl-4-oxo-2H-pyrimidine-5-carboxylate
CID 162426050
(7R)-3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5,7-dimethylpyrimido[4,5-b][1,4]oxazine-4,6-dione
CID 162510457
1-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-N-(2,2-difluoroethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 162426002
3-[[2-[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methylpyrimido[4,5-b][1,4]oxazine-4,6-dione
CID 162510490
1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-N,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 163451224
1-[[2-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]tetrazol-5-yl]methyl]-3-(2-methylpropyl)-2,4-dioxopyrimidine-5-carboxamide
CID 163595091
1-(4-chlorophenyl)-2-[4-[(1S)-1-hydroxyethyl]imidazol-1-yl]ethanol
CID 167863092
1-(4-chlorophenyl)-2-(3-methylsulfinyl-1,2,4-triazol-1-yl)ethanol
CID 109412490
7-(4-chlorophenyl)-5-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 168887167
4-[[3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methyl-1,2,4-triazin-5-one
CID 176872222
1-[[2-[(2S)-2-(5-chloro-1-benzofuran-2-yl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 162426029
3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 38778947

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one (CID 171665294) is 3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one is Cc1ncn2c1C(=O)N(Cc1nnn(C[C@H](O)c3ccc(Cl)cc3)n1)CN2.
What is the InChIKey of 3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is ZVQZHKGXOJMDAX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17ClN8O2/c1-10-15-16(27)23(9-19-24(15)8-18-10)7-14-20-22-25(21-14)6-13(26)11-2-4-12(17)5-3-11/h2-5,8,13,19,26H,6-7,9H2,1H3/t13-/m0/s1.
What are the key properties of 3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one?
3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 388.82 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]tetrazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 171665294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).