tert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate

C16H23FN4O2 — CID 129299700

IUPACtert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate
SMILESCN(CCCCc1nnc2ccc(F)cn12)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23FN4O2/c1-16(2,3)23-15(22)20(4)10-6-5-7-13-18-19-14-9-8-12(17)11-21(13)14/h8-9,11H,5-7,10H2,1-4H3
InChIKeyGZBUDEAYCBLFFR-UHFFFAOYSA-N
MW322.38 g/mol
LogP3.06
Rot. Bonds5

About tert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate

tert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate (PubChem CID 129299700) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is tert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate
PubChem CID129299700
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Nametert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate
SMILESCN(CCCCc1nnc2ccc(F)cn12)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23FN4O2/c1-16(2,3)23-15(22)20(4)10-6-5-7-13-18-19-14-9-8-12(17)11-21(13)14/h8-9,11H,5-7,10H2,1-4H3
InChIKeyGZBUDEAYCBLFFR-UHFFFAOYSA-N
XLogP3.06
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
CID 137354654
2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
CID 105448678
tert-butyl N-methyl-N-[4-(2-sulfanylphenyl)butyl]carbamate
CID 91391747
3-heptyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 55068173
3-octyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 65427572
tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate
CID 146282121
2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde
CID 166537867
tert-butyl N-[(5-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133059742
tert-butyl N-(9-bromononyl)-N-methylcarbamate
CID 166638484
tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 163409952
tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
CID 159187536
[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]phenyl]boronic acid
CID 58343957

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate (CID 129299700) is tert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate is CN(CCCCc1nnc2ccc(F)cn12)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate?
The InChIKey is GZBUDEAYCBLFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-16(2,3)23-15(22)20(4)10-6-5-7-13-18-19-14-9-8-12(17)11-21(13)14/h8-9,11H,5-7,10H2,1-4H3.
What are the key properties of tert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate?
tert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate has a molecular weight of 322.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate is sourced from PubChem (CID 129299700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).