1-(2,2-difluoroethyl)-5-methyltriazol-4-amine

C5H8F2N4 — CID 79542115

IUPAC1-(2,2-difluoroethyl)-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1CC(F)F
InChIInChI=1S/C5H8F2N4/c1-3-5(8)9-10-11(3)2-4(6)7/h4H,2,8H2,1H3
InChIKeyIGRMILIWRUUVPE-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.43
Rot. Bonds2

About 1-(2,2-difluoroethyl)-5-methyltriazol-4-amine

1-(2,2-difluoroethyl)-5-methyltriazol-4-amine (PubChem CID 79542115) has the molecular formula C5H8F2N4 and a molecular weight of 162.14 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-methyltriazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-methyltriazol-4-amine
PubChem CID79542115
Molecular FormulaC5H8F2N4
Molecular Weight162.14 g/mol
Exact Mass162.07
IUPAC Name1-(2,2-difluoroethyl)-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1CC(F)F
InChIInChI=1S/C5H8F2N4/c1-3-5(8)9-10-11(3)2-4(6)7/h4H,2,8H2,1H3
InChIKeyIGRMILIWRUUVPE-UHFFFAOYSA-N
XLogP0.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl-1H-1,2,3-triazol-5-amine
CID 20203832
5-(difluoromethyl)-1-methyl-1H-1,2,3-triazol-4-amine
CID 130649173
dimethyl-1H-1,2,3-triazol-4-amine hydrochloride
CID 121553489
5-(difluoromethyl)-1-methyl-1H-1,2,3-triazol-4-amine hydrochloride
CID 132343907
1,2,3-Triazole, 4-amino-5-aminomethyl-1-methyl-
CID 12690232
dimethyl-1H-1,2,3-triazol-4-amine
CID 75355385
5-(difluoromethyl)-N,1-dimethyltriazol-4-amine
CID 166808882
2-(3,3-Difluoropropyl)-5-methyltriazol-4-amine
CID 178823406
5-Ethyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
CID 79542049
5-Tert-butyl-1-(2,2,2-trifluoroethyl)triazol-4-amine
CID 79542190
5-Methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
CID 79542212
5-Methyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine
CID 79542302

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-methyltriazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-5-methyltriazol-4-amine (CID 79542115) is 1-(2,2-difluoroethyl)-5-methyltriazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-methyltriazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-methyltriazol-4-amine is Cc1c(N)nnn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-methyltriazol-4-amine?
The InChIKey is IGRMILIWRUUVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4/c1-3-5(8)9-10-11(3)2-4(6)7/h4H,2,8H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-5-methyltriazol-4-amine?
1-(2,2-difluoroethyl)-5-methyltriazol-4-amine has a molecular weight of 162.14 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-5-methyltriazol-4-amine is sourced from PubChem (CID 79542115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).