methyl 3-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate

C15H26N4O2 — CID 79634428

IUPACmethyl 3-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
SMILESCCc1nc(CC)n(C2CCCC(NC)(C(=O)OC)C2)n1
InChIInChI=1S/C15H26N4O2/c1-5-12-17-13(6-2)19(18-12)11-8-7-9-15(10-11,16-3)14(20)21-4/h11,16H,5-10H2,1-4H3
InChIKeyBYJXDNSOUPLXLQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.65
Rot. Bonds5

About methyl 3-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate

methyl 3-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate (PubChem CID 79634428) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is methyl 3-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
PubChem CID79634428
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Namemethyl 3-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
SMILESCCc1nc(CC)n(C2CCCC(NC)(C(=O)OC)C2)n1
InChIInChI=1S/C15H26N4O2/c1-5-12-17-13(6-2)19(18-12)11-8-7-9-15(10-11,16-3)14(20)21-4/h11,16H,5-10H2,1-4H3
InChIKeyBYJXDNSOUPLXLQ-UHFFFAOYSA-N
XLogP1.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate with MolForge

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Related Compounds

ethyl 3-(3,5-dimethylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79641995
ethyl 1-(methylamino)-3-(3,4,5-trimethylpyrazol-1-yl)cyclohexane-1-carboxylate
CID 79634253
1-amino-3-(3,5-diethyl-1,2,4-triazol-1-yl)cyclopentane-1-carboxylic acid
CID 79648953
methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636980
methyl 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79634263
ethyl 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79651185
methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate
CID 83044318
methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79636606
methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79628708
methyl 3-(3,5-dimethylpyrazol-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79634142
methyl 3-(azocan-1-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79628664
ethyl 3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79638065

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate (CID 79634428) is methyl 3-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate is CCc1nc(CC)n(C2CCCC(NC)(C(=O)OC)C2)n1.
What is the InChIKey of methyl 3-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate?
The InChIKey is BYJXDNSOUPLXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-12-17-13(6-2)19(18-12)11-8-7-9-15(10-11,16-3)14(20)21-4/h11,16H,5-10H2,1-4H3.
What are the key properties of methyl 3-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate?
methyl 3-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-diethyl-1,2,4-triazol-1-yl)-1-(methylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 79634428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).