(2S)-11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C18H22N6O — CID 171153223

IUPAC(2S)-11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESO=C1CCC[C@H]2C3CC(CN(c4nnnn4-c4ccccc4)C3)CN12
InChIInChI=1S/C18H22N6O/c25-17-8-4-7-16-14-9-13(11-23(16)17)10-22(12-14)18-19-20-21-24(18)15-5-2-1-3-6-15/h1-3,5-6,13-14,16H,4,7-12H2/t13?,14?,16-/m0/s1
InChIKeyFKKRCLYZLSGHKC-XUJLQICISA-N
MW338.41 g/mol
LogP1.50
Rot. Bonds2

About (2S)-11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

(2S)-11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 171153223) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(2S)-11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID171153223
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC Name(2S)-11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESO=C1CCC[C@H]2C3CC(CN(c4nnnn4-c4ccccc4)C3)CN12
InChIInChI=1S/C18H22N6O/c25-17-8-4-7-16-14-9-13(11-23(16)17)10-22(12-14)18-19-20-21-24(18)15-5-2-1-3-6-15/h1-3,5-6,13-14,16H,4,7-12H2/t13?,14?,16-/m0/s1
InChIKeyFKKRCLYZLSGHKC-XUJLQICISA-N
XLogP1.50
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one with MolForge

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Related Compounds

(1S,2S,9R)-11-(5-methyl-1-phenylpyrazole-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 125434478
3-[(1R,2S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 163316915
(2S)-11-(4-methoxypyrimidin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 171153218
(4aR,8aS)-6-(1-phenyltetrazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 154823989
1-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]imidazolidin-2-one
CID 133314224
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
2-[1-(1-phenyltetrazol-5-yl)azetidin-3-yl]acetic acid
CID 64616037
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
N-cyclopentyl-1-(1-phenyltetrazol-5-yl)azetidine-3-sulfonamide
CID 122139119
(1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane
CID 72904522
2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55636310

Frequently Asked Questions

What is the IUPAC name of (2S)-11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (2S)-11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 171153223) is (2S)-11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (2S)-11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (2S)-11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is O=C1CCC[C@H]2C3CC(CN(c4nnnn4-c4ccccc4)C3)CN12.
What is the InChIKey of (2S)-11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is FKKRCLYZLSGHKC-XUJLQICISA-N. The full InChI is InChI=1S/C18H22N6O/c25-17-8-4-7-16-14-9-13(11-23(16)17)10-22(12-14)18-19-20-21-24(18)15-5-2-1-3-6-15/h1-3,5-6,13-14,16H,4,7-12H2/t13?,14?,16-/m0/s1.
What are the key properties of (2S)-11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(2S)-11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 338.41 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-11-(1-phenyltetrazol-5-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 171153223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).