ethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate

C10H18N4O2 — CID 112597644

IUPACethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate
SMILESCCNc1nnc(CC(=O)OCC)n1CC
InChIInChI=1S/C10H18N4O2/c1-4-11-10-13-12-8(14(10)5-2)7-9(15)16-6-3/h4-7H2,1-3H3,(H,11,13)
InChIKeyKVVSBWBRCGBJRT-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.84
Rot. Bonds6

About ethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate

ethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate (PubChem CID 112597644) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate
PubChem CID112597644
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Nameethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate
SMILESCCNc1nnc(CC(=O)OCC)n1CC
InChIInChI=1S/C10H18N4O2/c1-4-11-10-13-12-8(14(10)5-2)7-9(15)16-6-3/h4-7H2,1-3H3,(H,11,13)
InChIKeyKVVSBWBRCGBJRT-UHFFFAOYSA-N
XLogP0.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate?
The IUPAC name of ethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate (CID 112597644) is ethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate?
The canonical SMILES for ethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate is CCNc1nnc(CC(=O)OCC)n1CC.
What is the InChIKey of ethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate?
The InChIKey is KVVSBWBRCGBJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-4-11-10-13-12-8(14(10)5-2)7-9(15)16-6-3/h4-7H2,1-3H3,(H,11,13).
What are the key properties of ethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate?
ethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate has a molecular weight of 226.28 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]acetate is sourced from PubChem (CID 112597644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).