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

C11H17N3O2 — CID 79734088

IUPACmethyl 1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate
SMILESCCCn1c(C)nnc1C1(C(=O)OC)CC1
InChIInChI=1S/C11H17N3O2/c1-4-7-14-8(2)12-13-9(14)11(5-6-11)10(15)16-3/h4-7H2,1-3H3
InChIKeyWHZMTYBKCKKQEG-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.20
Rot. Bonds4

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

methyl 1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate (PubChem CID 79734088) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate
PubChem CID79734088
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate
SMILESCCCn1c(C)nnc1C1(C(=O)OC)CC1
InChIInChI=1S/C11H17N3O2/c1-4-7-14-8(2)12-13-9(14)11(5-6-11)10(15)16-3/h4-7H2,1-3H3
InChIKeyWHZMTYBKCKKQEG-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate (CID 79734088) is methyl 1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate is CCCn1c(C)nnc1C1(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate?
The InChIKey is WHZMTYBKCKKQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-7-14-8(2)12-13-9(14)11(5-6-11)10(15)16-3/h4-7H2,1-3H3.
What are the key properties of methyl 1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate?
methyl 1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 79734088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).