methyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate

C11H17N5O4 — CID 103105645

IUPACmethyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate
SMILESCCc1c(C(=O)OC)nnn1CCC(=O)NC(=O)NC
InChIInChI=1S/C11H17N5O4/c1-4-7-9(10(18)20-3)14-15-16(7)6-5-8(17)13-11(19)12-2/h4-6H2,1-3H3,(H2,12,13,17,19)
InChIKeyMIOGRDQZORJFMC-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.53
Rot. Bonds5

About methyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate

methyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate (PubChem CID 103105645) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate
PubChem CID103105645
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Namemethyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate
SMILESCCc1c(C(=O)OC)nnn1CCC(=O)NC(=O)NC
InChIInChI=1S/C11H17N5O4/c1-4-7-9(10(18)20-3)14-15-16(7)6-5-8(17)13-11(19)12-2/h4-6H2,1-3H3,(H2,12,13,17,19)
InChIKeyMIOGRDQZORJFMC-UHFFFAOYSA-N
XLogP-0.53
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-methyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate
CID 103104813
methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate
CID 103105718
5-(2-methoxyethyl)-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylic acid
CID 102645784
methyl 5-(2-methoxy-2-oxoethyl)-1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate
CID 102643142
methyl 5-ethyl-1-(5-hydroxypentyl)triazole-4-carboxylate
CID 103105752
methyl 1-[2-(diethylamino)ethyl]-5-ethyltriazole-4-carboxylate
CID 103105875
methyl 1-(2-amino-2-oxoethyl)-5-ethyltriazole-4-carboxylate
CID 103105730
prop-2-enyl 5-methyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate
CID 103114050
methyl 5-ethyl-1-[2-(trifluoromethoxy)ethyl]triazole-4-carboxylate
CID 103105737
methyl 1-[2-(methylcarbamoylamino)-2-oxoethyl]-5-propan-2-yltriazole-4-carboxylate
CID 102644126
methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105920
methyl 5-ethyl-1-(2-pyrazol-1-ylethyl)triazole-4-carboxylate
CID 103105661

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate?
The IUPAC name of methyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate (CID 103105645) is methyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate?
The canonical SMILES for methyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate is CCc1c(C(=O)OC)nnn1CCC(=O)NC(=O)NC.
What is the InChIKey of methyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate?
The InChIKey is MIOGRDQZORJFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-4-7-9(10(18)20-3)14-15-16(7)6-5-8(17)13-11(19)12-2/h4-6H2,1-3H3,(H2,12,13,17,19).
What are the key properties of methyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate?
methyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate has a molecular weight of 283.29 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-1-[3-(methylcarbamoylamino)-3-oxopropyl]triazole-4-carboxylate is sourced from PubChem (CID 103105645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).