[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine

C3H4F3N5 — CID 13046510

IUPAC[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine
SMILESNNc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C3H4F3N5/c4-3(5,6)1-8-2(9-7)11-10-1/h7H2,(H2,8,9,10,11)
InChIKeyKSBUSMMYDZMZQH-UHFFFAOYSA-N
MW167.09 g/mol
LogP0.11
Rot. Bonds1

About [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine

[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine (PubChem CID 13046510) has the molecular formula C3H4F3N5 and a molecular weight of 167.09 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine
PubChem CID13046510
Molecular FormulaC3H4F3N5
Molecular Weight167.09 g/mol
Exact Mass167.04
IUPAC Name[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine
SMILESNNc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C3H4F3N5/c4-3(5,6)1-8-2(9-7)11-10-1/h7H2,(H2,8,9,10,11)
InChIKeyKSBUSMMYDZMZQH-UHFFFAOYSA-N
XLogP0.11
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.09
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(trifluoromethyl)-4H-1,2,4-triazol-3-amine
CID 350826
3-(heptafluoropropyl)-1H-1,2,4-triazol-5-amine
CID 539515
5-amino-1H-1,2,4-triazole-3-carbonitrile
CID 24711867
3-Bromo-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 21134654
5-(difluoromethyl)-4H-1,2,4-triazol-3-amine
CID 24702356
3-iodo-5-(trifluoromethyl)-4H-1,2,4-triazole
CID 70307784
5-azido-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 135981721
5-(trifluoromethyl)-1H-1,2,4-triazole-3-carbonitrile
CID 12095231
3,5-bis(trifluoromethyl)-1H-1,2,4-triazole
CID 14688516
[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] hypofluorite
CID 20685010
3-isocyano-5-(trifluoromethyl)-4H-1,2,4-triazole
CID 20746472
3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 22956420

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine?
The IUPAC name of [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine (CID 13046510) is [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine.
What is the SMILES notation for [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine?
The canonical SMILES for [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine is NNc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine?
The InChIKey is KSBUSMMYDZMZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3N5/c4-3(5,6)1-8-2(9-7)11-10-1/h7H2,(H2,8,9,10,11).
What are the key properties of [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine?
[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine has a molecular weight of 167.09 g/mol, XLogP of 0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]hydrazine is sourced from PubChem (CID 13046510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).