methyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate

C10H15N3O2 — CID 79734293

IUPACmethyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate
SMILESCCn1c(C)nnc1C1(C(=O)OC)CC1
InChIInChI=1S/C10H15N3O2/c1-4-13-7(2)11-12-8(13)10(5-6-10)9(14)15-3/h4-6H2,1-3H3
InChIKeyUYNGXVNLHQDVRC-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.81
Rot. Bonds3

About methyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate

methyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate (PubChem CID 79734293) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate
PubChem CID79734293
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate
SMILESCCn1c(C)nnc1C1(C(=O)OC)CC1
InChIInChI=1S/C10H15N3O2/c1-4-13-7(2)11-12-8(13)10(5-6-10)9(14)15-3/h4-6H2,1-3H3
InChIKeyUYNGXVNLHQDVRC-UHFFFAOYSA-N
XLogP0.81
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate (CID 79734293) is methyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate is CCn1c(C)nnc1C1(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate?
The InChIKey is UYNGXVNLHQDVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-13-7(2)11-12-8(13)10(5-6-10)9(14)15-3/h4-6H2,1-3H3.
What are the key properties of methyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate?
methyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 79734293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).