tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate

C12H16N4O2 — CID 119020406

IUPACtert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1ccn2cnnc2c1
InChIInChI=1S/C12H16N4O2/c1-12(2,3)18-11(17)13-7-9-4-5-16-8-14-15-10(16)6-9/h4-6,8H,7H2,1-3H3,(H,13,17)
InChIKeyCILHONBNMCHILJ-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.75
Rot. Bonds2

About tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate

tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate (PubChem CID 119020406) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate
PubChem CID119020406
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Nametert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1ccn2cnnc2c1
InChIInChI=1S/C12H16N4O2/c1-12(2,3)18-11(17)13-7-9-4-5-16-8-14-15-10(16)6-9/h4-6,8H,7H2,1-3H3,(H,13,17)
InChIKeyCILHONBNMCHILJ-UHFFFAOYSA-N
XLogP1.75
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate 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

tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate
CID 155896192
tert-butyl N-[(7-phenylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175306900
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-2-carboxylic acid
CID 160827228
tert-butyl N-[[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 139721370
tert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate
CID 139498962
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
tert-butyl N-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methyl]carbamate
CID 139028210
tert-butyl N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 21018889
tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 134964726
tert-butyl N-[(4-formylphenyl)methyl]carbamate;molecular hydrogen
CID 143920464

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate (CID 119020406) is tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate is CC(C)(C)OC(=O)NCc1ccn2cnnc2c1.
What is the InChIKey of tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate?
The InChIKey is CILHONBNMCHILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-12(2,3)18-11(17)13-7-9-4-5-16-8-14-15-10(16)6-9/h4-6,8H,7H2,1-3H3,(H,13,17).
What are the key properties of tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate?
tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate has a molecular weight of 248.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate is sourced from PubChem (CID 119020406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).