methyl 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxylate

C11H18N4O2 — CID 79651322

IUPACmethyl 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(n2cncn2)C1
InChIInChI=1S/C11H18N4O2/c1-3-13-11(10(16)17-2)5-4-9(6-11)15-8-12-7-14-15/h7-9,13H,3-6H2,1-2H3
InChIKeyLCRYDNGWVRYBHE-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.52
Rot. Bonds4

About methyl 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxylate

methyl 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxylate (PubChem CID 79651322) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxylate
PubChem CID79651322
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Namemethyl 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(n2cncn2)C1
InChIInChI=1S/C11H18N4O2/c1-3-13-11(10(16)17-2)5-4-9(6-11)15-8-12-7-14-15/h7-9,13H,3-6H2,1-2H3
InChIKeyLCRYDNGWVRYBHE-UHFFFAOYSA-N
XLogP0.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide
CID 79650892
methyl 1-(ethylamino)-3-(4-propan-2-ylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 103502038
methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79651308
methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79649918
methyl 3-(4-bromopyrazol-1-yl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79651817
methyl 3-(azocan-1-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79628664
[1-(methylamino)-3-(1,2,4-triazol-1-yl)cyclopentyl]methanol
CID 79645487
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 115561475
1-amino-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxamide
CID 79650821
methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate
CID 60787527
methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79633977
methyl 1-(ethylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636339

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxylate (CID 79651322) is methyl 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxylate is CCNC1(C(=O)OC)CCC(n2cncn2)C1.
What is the InChIKey of methyl 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxylate?
The InChIKey is LCRYDNGWVRYBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-13-11(10(16)17-2)5-4-9(6-11)15-8-12-7-14-15/h7-9,13H,3-6H2,1-2H3.
What are the key properties of methyl 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxylate?
methyl 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-3-(1,2,4-triazol-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79651322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).