3-(difluoromethyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C8H11F2N3 — CID 163390120

IUPAC3-(difluoromethyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCn2c(nnc2C(F)F)C1
InChIInChI=1S/C8H11F2N3/c1-5-2-3-13-6(4-5)11-12-8(13)7(9)10/h5,7H,2-4H2,1H3
InChIKeyNHABMALCALZWBF-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.80
Rot. Bonds1

About 3-(difluoromethyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-(difluoromethyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 163390120) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-(difluoromethyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID163390120
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name3-(difluoromethyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CCn2c(nnc2C(F)F)C1
InChIInChI=1S/C8H11F2N3/c1-5-2-3-13-6(4-5)11-12-8(13)7(9)10/h5,7H,2-4H2,1H3
InChIKeyNHABMALCALZWBF-UHFFFAOYSA-N
XLogP1.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyridine
CID 91083566
[6-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine dihydrochloride
CID 71756350
[3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 71757723
[8-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
CID 73994629
(3-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-yl)methanamine
CID 83678785
1-(7-(trifluoromethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-3-yl)methanamine dihydrochloride
CID 119106377
[3-(Difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine;dihydrochloride
CID 155822469
[6-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
CID 71756351
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoro-2-methylpropyl)piperidine
CID 77085462
3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559793
6,6-dimethyl-3-(2-methylpropyl)-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559822
3-(Cyclopentylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 136580115

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(difluoromethyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 163390120) is 3-(difluoromethyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(difluoromethyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(difluoromethyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC1CCn2c(nnc2C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NHABMALCALZWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-5-2-3-13-6(4-5)11-12-8(13)7(9)10/h5,7H,2-4H2,1H3.
What are the key properties of 3-(difluoromethyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-(difluoromethyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 187.19 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 163390120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).