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

C7H12N4 — CID 58622780

IUPAC(6R,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
SMILESC[C@H]1Cc2nnnn2C[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-WDSKDSINSA-N
MW152.20 g/mol
LogP0.50
Rot. Bonds

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

(6R,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine (PubChem CID 58622780) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is (6R,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name(6R,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
PubChem CID58622780
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name(6R,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
SMILESC[C@H]1Cc2nnnn2C[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-WDSKDSINSA-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

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Frequently Asked Questions

What is the IUPAC name of (6R,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The IUPAC name of (6R,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine (CID 58622780) is (6R,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine.
What is the SMILES notation for (6R,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The canonical SMILES for (6R,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine is C[C@H]1Cc2nnnn2C[C@@H]1C.
What is the InChIKey of (6R,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The InChIKey is CQLGOFBCHYBYIT-WDSKDSINSA-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 (6R,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
(6R,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 (6R,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine is sourced from PubChem (CID 58622780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).