tert-butyl N-[cyclopropyl(methyl)amino]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate

C15H21N5O2 — CID 67777210

IUPACtert-butyl N-[cyclopropyl(methyl)amino]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate
SMILESCN(C1CC1)N(C(=O)OC(C)(C)C)c1ccn2ncnc2c1
InChIInChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)20(18(4)11-5-6-11)12-7-8-19-13(9-12)16-10-17-19/h7-11H,5-6H2,1-4H3
InChIKeyLHYPJAOTKKDXIM-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.48
Rot. Bonds3

About tert-butyl N-[cyclopropyl(methyl)amino]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate

tert-butyl N-[cyclopropyl(methyl)amino]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate (PubChem CID 67777210) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is tert-butyl N-[cyclopropyl(methyl)amino]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[cyclopropyl(methyl)amino]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate
PubChem CID67777210
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Nametert-butyl N-[cyclopropyl(methyl)amino]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate
SMILESCN(C1CC1)N(C(=O)OC(C)(C)C)c1ccn2ncnc2c1
InChIInChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)20(18(4)11-5-6-11)12-7-8-19-13(9-12)16-10-17-19/h7-11H,5-6H2,1-4H3
InChIKeyLHYPJAOTKKDXIM-UHFFFAOYSA-N
XLogP2.48
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxylate
CID 168797719
[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]boronic acid
CID 176759154
1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
CID 83873004
tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate
CID 160959566
tert-butyl N-cyclopropyl-N-pyrimidin-4-ylcarbamate
CID 67382235
tert-butyl N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-cyclopropylcarbamate
CID 163278237
tert-butyl N-ethyl-N-[[2-(oxan-4-ylmethyl)-1,2,4-triazol-3-yl]methyl]carbamate
CID 169041841
tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 66569666
tert-butyl N-(4-acetyl-2-pyridinyl)-N-methylcarbamate
CID 70946479
7-[(2R)-pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 130615777
tert-butyl N-amino-N-[2-[cyclopentyl(methyl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamate
CID 177168109
tert-butyl N-cyclopropyl-N-(6-nitro-3-pyridinyl)carbamate
CID 66907125

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[cyclopropyl(methyl)amino]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate?
The IUPAC name of tert-butyl N-[cyclopropyl(methyl)amino]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate (CID 67777210) is tert-butyl N-[cyclopropyl(methyl)amino]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-[cyclopropyl(methyl)amino]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate?
The canonical SMILES for tert-butyl N-[cyclopropyl(methyl)amino]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate is CN(C1CC1)N(C(=O)OC(C)(C)C)c1ccn2ncnc2c1.
What is the InChIKey of tert-butyl N-[cyclopropyl(methyl)amino]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate?
The InChIKey is LHYPJAOTKKDXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)20(18(4)11-5-6-11)12-7-8-19-13(9-12)16-10-17-19/h7-11H,5-6H2,1-4H3.
What are the key properties of tert-butyl N-[cyclopropyl(methyl)amino]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate?
tert-butyl N-[cyclopropyl(methyl)amino]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate has a molecular weight of 303.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[cyclopropyl(methyl)amino]-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate is sourced from PubChem (CID 67777210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).