2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine

C7H10F2N4 — CID 165479364

IUPAC2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine
SMILESNc1cnn(CC2CC(F)(F)C2)n1
InChIInChI=1S/C7H10F2N4/c8-7(9)1-5(2-7)4-13-11-3-6(10)12-13/h3,5H,1-2,4H2,(H2,10,12)
InChIKeyYNZVVIORCULKDW-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.91
Rot. Bonds2

About 2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine

2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine (PubChem CID 165479364) has the molecular formula C7H10F2N4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine
PubChem CID165479364
Molecular FormulaC7H10F2N4
Molecular Weight188.18 g/mol
Exact Mass188.09
IUPAC Name2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine
SMILESNc1cnn(CC2CC(F)(F)C2)n1
InChIInChI=1S/C7H10F2N4/c8-7(9)1-5(2-7)4-13-11-3-6(10)12-13/h3,5H,1-2,4H2,(H2,10,12)
InChIKeyYNZVVIORCULKDW-UHFFFAOYSA-N
XLogP0.91
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethoxymethyl)triazol-4-amine
CID 165472803
2-(2,2-difluoroethyl)triazol-4-amine
CID 146075351
2-(3,3,3-trifluoropropyl)triazol-4-amine
CID 165472886
2-(3,3-difluoropropyl)triazol-4-amine
CID 84651323
ethyl 1-[(3,3-difluorocyclobutyl)methyl]pyrazole-4-carboxylate
CID 122240406
[2-amino-5-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]phenyl]-oxidoazanium
CID 140961408
[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]boronic acid
CID 164651773
2-(3-propan-2-yloxypropyl)triazol-4-amine
CID 165480310
[2-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 127004844
2-(2-ethylbutyl)triazol-4-amine
CID 165481404
2-(2-methylprop-2-enyl)triazol-4-amine
CID 165463371
methyl 1-[(3,3-difluorocyclobutyl)methyl]imidazole-4-carboxylate
CID 170957684

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine?
The IUPAC name of 2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine (CID 165479364) is 2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine.
What is the SMILES notation for 2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine?
The canonical SMILES for 2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine is Nc1cnn(CC2CC(F)(F)C2)n1.
What is the InChIKey of 2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine?
The InChIKey is YNZVVIORCULKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4/c8-7(9)1-5(2-7)4-13-11-3-6(10)12-13/h3,5H,1-2,4H2,(H2,10,12).
What are the key properties of 2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine?
2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine has a molecular weight of 188.18 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclobutyl)methyl]triazol-4-amine is sourced from PubChem (CID 165479364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).