ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate

C13H24N4O2 — CID 106488249

IUPACethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate
SMILESCCCC(CN)(Cc1ncnn1CC)C(=O)OCC
InChIInChI=1S/C13H24N4O2/c1-4-7-13(9-14,12(18)19-6-3)8-11-15-10-16-17(11)5-2/h10H,4-9,14H2,1-3H3
InChIKeyZPNQZXZRECSLAX-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.15
Rot. Bonds8

About ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate

ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate (PubChem CID 106488249) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate
PubChem CID106488249
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Nameethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate
SMILESCCCC(CN)(Cc1ncnn1CC)C(=O)OCC
InChIInChI=1S/C13H24N4O2/c1-4-7-13(9-14,12(18)19-6-3)8-11-15-10-16-17(11)5-2/h10H,4-9,14H2,1-3H3
InChIKeyZPNQZXZRECSLAX-UHFFFAOYSA-N
XLogP1.15
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate with MolForge

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Related Compounds

ethyl 2-(aminomethyl)-4-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentanoate
CID 106488835
2-(aminomethyl)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentanoic acid
CID 106488037
ethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate
CID 106488221
methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-ethyl-1,2,4-triazol-3-yl)propanoate
CID 106489512
ethyl 2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanoate
CID 106488186
1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312559
ethyl 2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]pentanoate
CID 106488224
ethyl 2-(2-ethyl-1,2,4-triazol-3-yl)pentanoate
CID 79471558
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine
CID 102640345
2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol
CID 106506110
3-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methylbutan-2-one
CID 116710114
diethyl 2-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanedioate
CID 103973062

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate?
The IUPAC name of ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate (CID 106488249) is ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate is CCCC(CN)(Cc1ncnn1CC)C(=O)OCC.
What is the InChIKey of ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate?
The InChIKey is ZPNQZXZRECSLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-7-13(9-14,12(18)19-6-3)8-11-15-10-16-17(11)5-2/h10H,4-9,14H2,1-3H3.
What are the key properties of ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate?
ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate has a molecular weight of 268.36 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate is sourced from PubChem (CID 106488249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).