ethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate

C11H17N3O2 — CID 103106966

IUPACethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate
SMILESCCOC(=O)c1nnn(C(C)C)c1C1CC1
InChIInChI=1S/C11H17N3O2/c1-4-16-11(15)9-10(8-5-6-8)14(7(2)3)13-12-9/h7-8H,4-6H2,1-3H3
InChIKeyBICAQSMJMNICOB-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.91
Rot. Bonds4

About ethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate

ethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate (PubChem CID 103106966) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate
PubChem CID103106966
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nameethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate
SMILESCCOC(=O)c1nnn(C(C)C)c1C1CC1
InChIInChI=1S/C11H17N3O2/c1-4-16-11(15)9-10(8-5-6-8)14(7(2)3)13-12-9/h7-8H,4-6H2,1-3H3
InChIKeyBICAQSMJMNICOB-UHFFFAOYSA-N
XLogP1.91
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-cyclopropyl-1-pentan-2-yltriazole-4-carboxylate
CID 107886164
ethyl 5-cyclopropyl-1-(2-hydroxy-2,3-dimethylbutyl)triazole-4-carboxylate
CID 103106903
ethyl 5-cyclopropyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylate
CID 103106803
ethyl 3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate
CID 90162051
ethyl 5-cyclopropyl-1-(2-ethyl-2-hydroxybutyl)triazole-4-carboxylate
CID 103106962
ethyl 5-cyclopropyl-1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate
CID 103107226
ethyl 5-cyclopropyl-1-(6-hydroxyhexyl)triazole-4-carboxylate
CID 107706601
ethyl 5-cyclopropyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylate
CID 103106808
ethyl 5-cyclopropyl-1-(3-methylcyclohexyl)triazole-4-carboxylate
CID 103107231
ethyl 5-cyclopropyl-1-(pyridin-4-ylmethyl)triazole-4-carboxylate
CID 103106697
ethyl 1-[2-(tert-butylamino)-2-oxoethyl]-5-cyclopropyltriazole-4-carboxylate
CID 103106805
ethyl 5-cyclopropyl-1-(2-phenylethyl)triazole-4-carboxylate
CID 103106922

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate (CID 103106966) is ethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate is CCOC(=O)c1nnn(C(C)C)c1C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate?
The InChIKey is BICAQSMJMNICOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-16-11(15)9-10(8-5-6-8)14(7(2)3)13-12-9/h7-8H,4-6H2,1-3H3.
What are the key properties of ethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate?
ethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-1-propan-2-yltriazole-4-carboxylate is sourced from PubChem (CID 103106966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).