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

C7H12N4 — CID 58622698

IUPAC(5R,6S)-5,6-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
SMILESC[C@@H]1[C@@H](C)CCc2nnnn21
InChIInChI=1S/C7H12N4/c1-5-3-4-7-8-9-10-11(7)6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyKIAPJZYGZBPQKP-NTSWFWBYSA-N
MW152.20 g/mol
LogP0.82
Rot. Bonds

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

(5R,6S)-5,6-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine (PubChem CID 58622698) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is (5R,6S)-5,6-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name(5R,6S)-5,6-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
PubChem CID58622698
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name(5R,6S)-5,6-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
SMILESC[C@@H]1[C@@H](C)CCc2nnnn21
InChIInChI=1S/C7H12N4/c1-5-3-4-7-8-9-10-11(7)6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyKIAPJZYGZBPQKP-NTSWFWBYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The IUPAC name of (5R,6S)-5,6-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine (CID 58622698) is (5R,6S)-5,6-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine.
What is the SMILES notation for (5R,6S)-5,6-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The canonical SMILES for (5R,6S)-5,6-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine is C[C@@H]1[C@@H](C)CCc2nnnn21.
What is the InChIKey of (5R,6S)-5,6-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The InChIKey is KIAPJZYGZBPQKP-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H12N4/c1-5-3-4-7-8-9-10-11(7)6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of (5R,6S)-5,6-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
(5R,6S)-5,6-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine has a molecular weight of 152.20 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5,6-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine is sourced from PubChem (CID 58622698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).