ethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate

C14H24N4O2 — CID 63921481

IUPACethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate
SMILESCCNC(Cn1nc(C)nc1C)(C(=O)OCC)C1CC1
InChIInChI=1S/C14H24N4O2/c1-5-15-14(12-7-8-12,13(19)20-6-2)9-18-11(4)16-10(3)17-18/h12,15H,5-9H2,1-4H3
InChIKeyZKSOMWIBWKNYHT-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.22
Rot. Bonds7

About ethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate

ethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate (PubChem CID 63921481) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate
PubChem CID63921481
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nameethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate
SMILESCCNC(Cn1nc(C)nc1C)(C(=O)OCC)C1CC1
InChIInChI=1S/C14H24N4O2/c1-5-15-14(12-7-8-12,13(19)20-6-2)9-18-11(4)16-10(3)17-18/h12,15H,5-9H2,1-4H3
InChIKeyZKSOMWIBWKNYHT-UHFFFAOYSA-N
XLogP1.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate (CID 63921481) is ethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate is CCNC(Cn1nc(C)nc1C)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate?
The InChIKey is ZKSOMWIBWKNYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-15-14(12-7-8-12,13(19)20-6-2)9-18-11(4)16-10(3)17-18/h12,15H,5-9H2,1-4H3.
What are the key properties of ethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate?
ethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate has a molecular weight of 280.37 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanoate is sourced from PubChem (CID 63921481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).