1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine

C10H16N4 — CID 171327909

IUPAC1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCc1nnc(CN2CC=CCC2)n1C
InChIInChI=1S/C10H16N4/c1-9-11-12-10(13(9)2)8-14-6-4-3-5-7-14/h3-4H,5-8H2,1-2H3
InChIKeyOFWYGBZPFWZODT-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.89
Rot. Bonds2

About 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 171327909) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID171327909
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCc1nnc(CN2CC=CCC2)n1C
InChIInChI=1S/C10H16N4/c1-9-11-12-10(13(9)2)8-14-6-4-3-5-7-14/h3-4H,5-8H2,1-2H3
InChIKeyOFWYGBZPFWZODT-UHFFFAOYSA-N
XLogP0.89
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine (CID 171327909) is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine is Cc1nnc(CN2CC=CCC2)n1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is OFWYGBZPFWZODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-9-11-12-10(13(9)2)8-14-6-4-3-5-7-14/h3-4H,5-8H2,1-2H3.
What are the key properties of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine?
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 192.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 171327909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).