1-(2,4-difluorophenyl)-5-propyltriazol-4-amine

C11H12F2N4 — CID 79502072

IUPAC1-(2,4-difluorophenyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1ccc(F)cc1F
InChIInChI=1S/C11H12F2N4/c1-2-3-10-11(14)15-16-17(10)9-5-4-7(12)6-8(9)13/h4-6H,2-3,14H2,1H3
InChIKeyALAYUNAFHUWUPJ-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.08
Rot. Bonds3

About 1-(2,4-difluorophenyl)-5-propyltriazol-4-amine

1-(2,4-difluorophenyl)-5-propyltriazol-4-amine (PubChem CID 79502072) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-propyltriazol-4-amine
PubChem CID79502072
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-(2,4-difluorophenyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1ccc(F)cc1F
InChIInChI=1S/C11H12F2N4/c1-2-3-10-11(14)15-16-17(10)9-5-4-7(12)6-8(9)13/h4-6H,2-3,14H2,1H3
InChIKeyALAYUNAFHUWUPJ-UHFFFAOYSA-N
XLogP2.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(E)-1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]ethylideneamino]urea
CID 162668015
[(E)-1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]ethylideneamino]thiourea
CID 162670199
1-Phenyl-5-amino-1,2,3-triazole-4-nitrile
CID 2748865
1-(2,4-difluorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 2354676
3-Methyl-1-phenyl-1h-pyrazole-4,5-diamine
CID 872517
1-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-amine
CID 62679037
1-Phenyl-4,5-bis(trifluoromethyl)-1,2,3-triazole
CID 12669189
1-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-3-amine
CID 42692484
1-Phenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 53403378
1-phenyl-5-(propan-2-yl)-1H-1,2,3-triazol-4-amine
CID 79501514
1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-amine hydrochloride
CID 122164236
1-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)methanamine dihydrochloride
CID 154878745

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-propyltriazol-4-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-5-propyltriazol-4-amine (CID 79502072) is 1-(2,4-difluorophenyl)-5-propyltriazol-4-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-propyltriazol-4-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-propyltriazol-4-amine is CCCc1c(N)nnn1-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-propyltriazol-4-amine?
The InChIKey is ALAYUNAFHUWUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-2-3-10-11(14)15-16-17(10)9-5-4-7(12)6-8(9)13/h4-6H,2-3,14H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-5-propyltriazol-4-amine?
1-(2,4-difluorophenyl)-5-propyltriazol-4-amine has a molecular weight of 238.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-propyltriazol-4-amine is sourced from PubChem (CID 79502072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).