1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine

C11H12F2N4O — CID 79507425

IUPAC1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1-c1ccccc1OC(F)F
InChIInChI=1S/C11H12F2N4O/c1-2-7-10(14)15-16-17(7)8-5-3-4-6-9(8)18-11(12)13/h3-6,11H,2,14H2,1H3
InChIKeyWLRDUTPSMMNRTD-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.01
Rot. Bonds4

About 1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine

1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine (PubChem CID 79507425) has the molecular formula C11H12F2N4O and a molecular weight of 254.24 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine
PubChem CID79507425
Molecular FormulaC11H12F2N4O
Molecular Weight254.24 g/mol
Exact Mass254.10
IUPAC Name1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1-c1ccccc1OC(F)F
InChIInChI=1S/C11H12F2N4O/c1-2-7-10(14)15-16-17(7)8-5-3-4-6-9(8)18-11(12)13/h3-6,11H,2,14H2,1H3
InChIKeyWLRDUTPSMMNRTD-UHFFFAOYSA-N
XLogP2.01
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine (CID 79507425) is 1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine is CCc1c(N)nnn1-c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine?
The InChIKey is WLRDUTPSMMNRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O/c1-2-7-10(14)15-16-17(7)8-5-3-4-6-9(8)18-11(12)13/h3-6,11H,2,14H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine?
1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine has a molecular weight of 254.24 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-5-ethyltriazol-4-amine is sourced from PubChem (CID 79507425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).