[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanamine

C5H8F2N4 — CID 62950883

IUPAC[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(CC(F)F)n1
InChIInChI=1S/C5H8F2N4/c6-4(7)2-11-3-9-5(1-8)10-11/h3-4H,1-2,8H2
InChIKeyIMGMTKRZZNLEEO-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.00
Rot. Bonds3

About [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanamine

[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 62950883) has the molecular formula C5H8F2N4 and a molecular weight of 162.14 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID62950883
Molecular FormulaC5H8F2N4
Molecular Weight162.14 g/mol
Exact Mass162.07
IUPAC Name[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(CC(F)F)n1
InChIInChI=1S/C5H8F2N4/c6-4(7)2-11-3-9-5(1-8)10-11/h3-4H,1-2,8H2
InChIKeyIMGMTKRZZNLEEO-UHFFFAOYSA-N
XLogP0.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanamine (CID 62950883) is [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanamine is NCc1ncn(CC(F)F)n1.
What is the InChIKey of [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is IMGMTKRZZNLEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4/c6-4(7)2-11-3-9-5(1-8)10-11/h3-4H,1-2,8H2.
What are the key properties of [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanamine?
[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 162.14 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 62950883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).