(6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine

C7H12N4 — CID 58714711

IUPAC(6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
SMILESC[C@@H]1Cn2nnnc2C[C@@H]1C
InChIInChI=1S/C7H12N4/c1-5-3-7-8-9-10-11(7)4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyCQLGOFBCHYBYIT-NTSWFWBYSA-N
MW152.20 g/mol
LogP0.50
Rot. Bonds

About (6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine

(6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine (PubChem CID 58714711) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is (6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name(6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
PubChem CID58714711
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name(6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
SMILESC[C@@H]1Cn2nnnc2C[C@@H]1C
InChIInChI=1S/C7H12N4/c1-5-3-7-8-9-10-11(7)4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyCQLGOFBCHYBYIT-NTSWFWBYSA-N
XLogP0.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine with MolForge

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Related Compounds

Tetramethylenetetrazole
CID 81973
8-(3-Bromopropyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
CID 11064659
8-Methyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
CID 15304947
spiro[6,7-dihydro-5H-tetrazolo[1,5-a]pyridine-8,1'-cyclopropane]
CID 15304948
8-(2-Chloroethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
CID 15304951
5,6-Dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
CID 21061691
6,7-Dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
CID 21061708
(5R,6S)-5,6-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
CID 58622698
diphosphanyl-[(6R,7S)-7-methyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-6-yl]-phosphanylphosphane
CID 58622752
diphosphanyl-[(6S,7S)-6-methyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-7-yl]-phosphanylphosphane
CID 58622767
(6R,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
CID 58622780
(5S,6S)-5,6-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
CID 58714708

Frequently Asked Questions

What is the IUPAC name of (6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The IUPAC name of (6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine (CID 58714711) is (6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine.
What is the SMILES notation for (6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The canonical SMILES for (6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine is C[C@@H]1Cn2nnnc2C[C@@H]1C.
What is the InChIKey of (6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The InChIKey is CQLGOFBCHYBYIT-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H12N4/c1-5-3-7-8-9-10-11(7)4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of (6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
(6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine has a molecular weight of 152.20 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine is sourced from PubChem (CID 58714711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).