5-(difluoromethyl)-N,1-dimethyltriazol-4-amine

C5H8F2N4 — CID 166808882

IUPAC5-(difluoromethyl)-N,1-dimethyltriazol-4-amine
SMILESCNc1nnn(C)c1C(F)F
InChIInChI=1S/C5H8F2N4/c1-8-5-3(4(6)7)11(2)10-9-5/h4,8H,1-2H3
InChIKeyWDPPDFFMCJGSNN-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.79
Rot. Bonds2

About 5-(difluoromethyl)-N,1-dimethyltriazol-4-amine

5-(difluoromethyl)-N,1-dimethyltriazol-4-amine (PubChem CID 166808882) has the molecular formula C5H8F2N4 and a molecular weight of 162.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-N,1-dimethyltriazol-4-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N,1-dimethyltriazol-4-amine
PubChem CID166808882
Molecular FormulaC5H8F2N4
Molecular Weight162.14 g/mol
Exact Mass162.07
IUPAC Name5-(difluoromethyl)-N,1-dimethyltriazol-4-amine
SMILESCNc1nnn(C)c1C(F)F
InChIInChI=1S/C5H8F2N4/c1-8-5-3(4(6)7)11(2)10-9-5/h4,8H,1-2H3
InChIKeyWDPPDFFMCJGSNN-UHFFFAOYSA-N
XLogP0.79
TPSA42.74 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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N,1-dimethyltriazol-4-amine?
The IUPAC name of 5-(difluoromethyl)-N,1-dimethyltriazol-4-amine (CID 166808882) is 5-(difluoromethyl)-N,1-dimethyltriazol-4-amine.
What is the SMILES notation for 5-(difluoromethyl)-N,1-dimethyltriazol-4-amine?
The canonical SMILES for 5-(difluoromethyl)-N,1-dimethyltriazol-4-amine is CNc1nnn(C)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-N,1-dimethyltriazol-4-amine?
The InChIKey is WDPPDFFMCJGSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4/c1-8-5-3(4(6)7)11(2)10-9-5/h4,8H,1-2H3.
What are the key properties of 5-(difluoromethyl)-N,1-dimethyltriazol-4-amine?
5-(difluoromethyl)-N,1-dimethyltriazol-4-amine has a molecular weight of 162.14 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N,1-dimethyltriazol-4-amine is sourced from PubChem (CID 166808882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).