ethane;3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

C10H17N3 — CID 168958147

IUPACethane;3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=C1CCn2c(C)nnc2C1.CC
InChIInChI=1S/C8H11N3.C2H6/c1-6-3-4-11-7(2)9-10-8(11)5-6;1-2/h1,3-5H2,2H3;1-2H3
InChIKeyYPRKOOWPWSXCIH-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.12
Rot. Bonds

About ethane;3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

ethane;3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 168958147) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is ethane;3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Nameethane;3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID168958147
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Nameethane;3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=C1CCn2c(C)nnc2C1.CC
InChIInChI=1S/C8H11N3.C2H6/c1-6-3-4-11-7(2)9-10-8(11)5-6;1-2/h1,3-5H2,2H3;1-2H3
InChIKeyYPRKOOWPWSXCIH-UHFFFAOYSA-N
XLogP2.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559822
5-Fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 155157340
(5R)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 155157341
(5S)-5-fluoro-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 155157343
3-Methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 56972765
(8E)-8-ethylidene-2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
CID 57609340
3-(2-Methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 57675160
3-Tert-butyl-4-methyl-5-pent-4-enyl-1,2,4-triazole
CID 57691877
2-Tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 58548803
3-Propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 58784097
3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 59299813
3-Tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59825799

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of ethane;3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (CID 168958147) is ethane;3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for ethane;3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for ethane;3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is C=C1CCn2c(C)nnc2C1.CC.
What is the InChIKey of ethane;3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is YPRKOOWPWSXCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c1-6-3-4-11-7(2)9-10-8(11)5-6;1-2/h1,3-5H2,2H3;1-2H3.
What are the key properties of ethane;3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
ethane;3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 179.27 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 168958147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).