2-(3,3-difluoropropyl)triazol-4-amine

C5H8F2N4 — CID 84651323

IUPAC2-(3,3-difluoropropyl)triazol-4-amine
SMILESNc1cnn(CCC(F)F)n1
InChIInChI=1S/C5H8F2N4/c6-4(7)1-2-11-9-3-5(8)10-11/h3-4H,1-2H2,(H2,8,10)
InChIKeyOLFDHCZTHNCMKP-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.52
Rot. Bonds3

About 2-(3,3-difluoropropyl)triazol-4-amine

2-(3,3-difluoropropyl)triazol-4-amine (PubChem CID 84651323) has the molecular formula C5H8F2N4 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-(3,3-difluoropropyl)triazol-4-amine.

Molecular Properties

Compound Name2-(3,3-difluoropropyl)triazol-4-amine
PubChem CID84651323
Molecular FormulaC5H8F2N4
Molecular Weight162.14 g/mol
Exact Mass162.07
IUPAC Name2-(3,3-difluoropropyl)triazol-4-amine
SMILESNc1cnn(CCC(F)F)n1
InChIInChI=1S/C5H8F2N4/c6-4(7)1-2-11-9-3-5(8)10-11/h3-4H,1-2H2,(H2,8,10)
InChIKeyOLFDHCZTHNCMKP-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-difluoroethyl)triazol-4-amine
CID 146075351
2-(3,3,3-trifluoropropyl)triazol-4-amine
CID 165472886
2-heptyltriazol-4-amine
CID 165480790
2-(2-ethylbutyl)triazol-4-amine
CID 165481404
2-(3-propan-2-yloxypropyl)triazol-4-amine
CID 165480310
6-(4-aminotriazol-2-yl)hexan-2-one
CID 67367591
2-(difluoromethyl)triazol-4-amine
CID 86684082
2-[(2,3-difluorophenyl)methyl]triazol-4-amine
CID 165479947
2-(2-methylprop-2-enyl)triazol-4-amine
CID 165463371
1-(4-aminotriazol-2-yl)-2-methylpropan-2-ol
CID 165463377
2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine
CID 165471904
2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine
CID 165479364

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropropyl)triazol-4-amine?
The IUPAC name of 2-(3,3-difluoropropyl)triazol-4-amine (CID 84651323) is 2-(3,3-difluoropropyl)triazol-4-amine.
What is the SMILES notation for 2-(3,3-difluoropropyl)triazol-4-amine?
The canonical SMILES for 2-(3,3-difluoropropyl)triazol-4-amine is Nc1cnn(CCC(F)F)n1.
What is the InChIKey of 2-(3,3-difluoropropyl)triazol-4-amine?
The InChIKey is OLFDHCZTHNCMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4/c6-4(7)1-2-11-9-3-5(8)10-11/h3-4H,1-2H2,(H2,8,10).
What are the key properties of 2-(3,3-difluoropropyl)triazol-4-amine?
2-(3,3-difluoropropyl)triazol-4-amine has a molecular weight of 162.14 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropropyl)triazol-4-amine is sourced from PubChem (CID 84651323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).