1-[(5S)-6,6-dimethyl-7,8-dihydro-5H-tetrazolo[1,5-a]pyridin-5-yl]propan-2-one

C10H16N4O — CID 102214263

IUPAC1-[(5S)-6,6-dimethyl-7,8-dihydro-5H-tetrazolo[1,5-a]pyridin-5-yl]propan-2-one
SMILESCC(=O)C[C@@H]1n2nnnc2CCC1(C)C
InChIInChI=1S/C10H16N4O/c1-7(15)6-8-10(2,3)5-4-9-11-12-13-14(8)9/h8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyFJIFTNKKACSGCI-QMMMGPOBSA-N
MW208.26 g/mol
LogP1.17
Rot. Bonds2

About 1-[(5S)-6,6-dimethyl-7,8-dihydro-5H-tetrazolo[1,5-a]pyridin-5-yl]propan-2-one

1-[(5S)-6,6-dimethyl-7,8-dihydro-5H-tetrazolo[1,5-a]pyridin-5-yl]propan-2-one (PubChem CID 102214263) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[(5S)-6,6-dimethyl-7,8-dihydro-5H-tetrazolo[1,5-a]pyridin-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[(5S)-6,6-dimethyl-7,8-dihydro-5H-tetrazolo[1,5-a]pyridin-5-yl]propan-2-one
PubChem CID102214263
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-[(5S)-6,6-dimethyl-7,8-dihydro-5H-tetrazolo[1,5-a]pyridin-5-yl]propan-2-one
SMILESCC(=O)C[C@@H]1n2nnnc2CCC1(C)C
InChIInChI=1S/C10H16N4O/c1-7(15)6-8-10(2,3)5-4-9-11-12-13-14(8)9/h8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyFJIFTNKKACSGCI-QMMMGPOBSA-N
XLogP1.17
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-6,6-dimethyl-7,8-dihydro-5H-tetrazolo[1,5-a]pyridin-5-yl]propan-2-one?
The IUPAC name of 1-[(5S)-6,6-dimethyl-7,8-dihydro-5H-tetrazolo[1,5-a]pyridin-5-yl]propan-2-one (CID 102214263) is 1-[(5S)-6,6-dimethyl-7,8-dihydro-5H-tetrazolo[1,5-a]pyridin-5-yl]propan-2-one.
What is the SMILES notation for 1-[(5S)-6,6-dimethyl-7,8-dihydro-5H-tetrazolo[1,5-a]pyridin-5-yl]propan-2-one?
The canonical SMILES for 1-[(5S)-6,6-dimethyl-7,8-dihydro-5H-tetrazolo[1,5-a]pyridin-5-yl]propan-2-one is CC(=O)C[C@@H]1n2nnnc2CCC1(C)C.
What is the InChIKey of 1-[(5S)-6,6-dimethyl-7,8-dihydro-5H-tetrazolo[1,5-a]pyridin-5-yl]propan-2-one?
The InChIKey is FJIFTNKKACSGCI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(15)6-8-10(2,3)5-4-9-11-12-13-14(8)9/h8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of 1-[(5S)-6,6-dimethyl-7,8-dihydro-5H-tetrazolo[1,5-a]pyridin-5-yl]propan-2-one?
1-[(5S)-6,6-dimethyl-7,8-dihydro-5H-tetrazolo[1,5-a]pyridin-5-yl]propan-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-6,6-dimethyl-7,8-dihydro-5H-tetrazolo[1,5-a]pyridin-5-yl]propan-2-one is sourced from PubChem (CID 102214263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).