tert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate

C19H28N4O3 — CID 168893773

IUPACtert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate
SMILESCCOc1ccn2c([C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)nnc2c1
InChIInChI=1S/C19H28N4O3/c1-5-25-15-9-10-23-16(12-15)21-22-17(23)13-7-6-8-14(11-13)20-18(24)26-19(2,3)4/h9-10,12-14H,5-8,11H2,1-4H3,(H,20,24)/t13-,14+/m0/s1
InChIKeyBSDVPOSRYZETSM-UONOGXRCSA-N
MW360.46 g/mol
LogP3.68
Rot. Bonds4

About tert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate

tert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate (PubChem CID 168893773) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is tert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate
PubChem CID168893773
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Nametert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate
SMILESCCOc1ccn2c([C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)nnc2c1
InChIInChI=1S/C19H28N4O3/c1-5-25-15-9-10-23-16(12-15)21-22-17(23)13-7-6-8-14(11-13)20-18(24)26-19(2,3)4/h9-10,12-14H,5-8,11H2,1-4H3,(H,20,24)/t13-,14+/m0/s1
InChIKeyBSDVPOSRYZETSM-UONOGXRCSA-N
XLogP3.68
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R,3S)-3-(7-cyclopropylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate
CID 175891256
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1R,3S)-3-(4-chlorophenyl)cyclohexyl]carbamate
CID 139378065
tert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate
CID 168894294
tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate
CID 139378150
tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate
CID 139378064
tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate
CID 125450247
tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate
CID 103720022
tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate
CID 139378275
tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate
CID 113247856
tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate
CID 99620412
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate (CID 168893773) is tert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate is CCOc1ccn2c([C@H]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)nnc2c1.
What is the InChIKey of tert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate?
The InChIKey is BSDVPOSRYZETSM-UONOGXRCSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-5-25-15-9-10-23-16(12-15)21-22-17(23)13-7-6-8-14(11-13)20-18(24)26-19(2,3)4/h9-10,12-14H,5-8,11H2,1-4H3,(H,20,24)/t13-,14+/m0/s1.
What are the key properties of tert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate?
tert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate has a molecular weight of 360.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3S)-3-(7-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]carbamate is sourced from PubChem (CID 168893773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).