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

C14H21N5 — CID 136559823

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cc(C)n(Cc2nnc3n2CC(C)(C)CC3)n1
InChIInChI=1S/C14H21N5/c1-10-7-11(2)19(17-10)8-13-16-15-12-5-6-14(3,4)9-18(12)13/h7H,5-6,8-9H2,1-4H3
InChIKeyCHUNRULURFDWHE-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.11
Rot. Bonds2

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

3-[(3,5-dimethylpyrazol-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 136559823) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID136559823
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cc(C)n(Cc2nnc3n2CC(C)(C)CC3)n1
InChIInChI=1S/C14H21N5/c1-10-7-11(2)19(17-10)8-13-16-15-12-5-6-14(3,4)9-18(12)13/h7H,5-6,8-9H2,1-4H3
InChIKeyCHUNRULURFDWHE-UHFFFAOYSA-N
XLogP2.11
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (CID 136559823) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is Cc1cc(C)n(Cc2nnc3n2CC(C)(C)CC3)n1.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is CHUNRULURFDWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10-7-11(2)19(17-10)8-13-16-15-12-5-6-14(3,4)9-18(12)13/h7H,5-6,8-9H2,1-4H3.
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 259.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 136559823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).