6,6-dimethyl-3-[4-(tetrazol-1-yl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

C15H17N7 — CID 136559825

IUPAC6,6-dimethyl-3-[4-(tetrazol-1-yl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1(C)CCc2nnc(-c3ccc(-n4cnnn4)cc3)n2C1
InChIInChI=1S/C15H17N7/c1-15(2)8-7-13-17-18-14(21(13)9-15)11-3-5-12(6-4-11)22-10-16-19-20-22/h3-6,10H,7-9H2,1-2H3
InChIKeyVMFZXRJARUUDHJ-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.89
Rot. Bonds2

About 6,6-dimethyl-3-[4-(tetrazol-1-yl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

6,6-dimethyl-3-[4-(tetrazol-1-yl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 136559825) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 6,6-dimethyl-3-[4-(tetrazol-1-yl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6,6-dimethyl-3-[4-(tetrazol-1-yl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID136559825
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name6,6-dimethyl-3-[4-(tetrazol-1-yl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1(C)CCc2nnc(-c3ccc(-n4cnnn4)cc3)n2C1
InChIInChI=1S/C15H17N7/c1-15(2)8-7-13-17-18-14(21(13)9-15)11-3-5-12(6-4-11)22-10-16-19-20-22/h3-6,10H,7-9H2,1-2H3
InChIKeyVMFZXRJARUUDHJ-UHFFFAOYSA-N
XLogP1.89
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-[4-(tetrazol-1-yl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6,6-dimethyl-3-[4-(tetrazol-1-yl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (CID 136559825) is 6,6-dimethyl-3-[4-(tetrazol-1-yl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6,6-dimethyl-3-[4-(tetrazol-1-yl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6,6-dimethyl-3-[4-(tetrazol-1-yl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is CC1(C)CCc2nnc(-c3ccc(-n4cnnn4)cc3)n2C1.
What is the InChIKey of 6,6-dimethyl-3-[4-(tetrazol-1-yl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VMFZXRJARUUDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-15(2)8-7-13-17-18-14(21(13)9-15)11-3-5-12(6-4-11)22-10-16-19-20-22/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 6,6-dimethyl-3-[4-(tetrazol-1-yl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
6,6-dimethyl-3-[4-(tetrazol-1-yl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 295.35 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-[4-(tetrazol-1-yl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 136559825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).