5-(fluoromethyl)-1H-1,2,4-triazole

C3H4FN3 — CID 57268373

IUPAC5-(fluoromethyl)-1H-1,2,4-triazole
SMILESFCc1ncn[nH]1
InChIInChI=1S/C3H4FN3/c4-1-3-5-2-6-7-3/h2H,1H2,(H,5,6,7)
InChIKeyIGJDWWCIFAAOMO-UHFFFAOYSA-N
MW101.08 g/mol
LogP0.27
Rot. Bonds1

About 5-(fluoromethyl)-1H-1,2,4-triazole

5-(fluoromethyl)-1H-1,2,4-triazole (PubChem CID 57268373) has the molecular formula C3H4FN3 and a molecular weight of 101.08 g/mol. Its IUPAC name is 5-(fluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(fluoromethyl)-1H-1,2,4-triazole
PubChem CID57268373
Molecular FormulaC3H4FN3
Molecular Weight101.08 g/mol
Exact Mass101.04
IUPAC Name5-(fluoromethyl)-1H-1,2,4-triazole
SMILESFCc1ncn[nH]1
InChIInChI=1S/C3H4FN3/c4-1-3-5-2-6-7-3/h2H,1H2,(H,5,6,7)
InChIKeyIGJDWWCIFAAOMO-UHFFFAOYSA-N
XLogP0.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.08
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-pyrazol-1-ylmethanol
CID 305560
3-Ethyl-1,2,4(1H)-triazole
CID 23891
2-(4H-1,2,4-triazol-3-yl)acetonitrile
CID 1382059
3-Isopropyl-1H-1,2,4-triazole
CID 21547708
s-Triazole, 3-propyl-
CID 519726
1H-1,2,4-Triazole-5-carbonitrile
CID 7023411
3-(Trifluoromethyl)-1H-1,2,4-triazole
CID 18944011
(1H-1,2,4-Triazol-3-yl)methanamine hydrochloride
CID 12278547
3-(chloromethyl)-1H-1,2,4-triazole hydrochloride
CID 20226696
3-(difluoromethyl)-1H-1,2,4-triazole
CID 53417266
4H-1,2,4-triazole-3-carboximidamide hydrochloride
CID 136226618
1H-1,2,4-Triazole-3-methanamine
CID 427860

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(fluoromethyl)-1H-1,2,4-triazole (CID 57268373) is 5-(fluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(fluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(fluoromethyl)-1H-1,2,4-triazole is FCc1ncn[nH]1.
What is the InChIKey of 5-(fluoromethyl)-1H-1,2,4-triazole?
The InChIKey is IGJDWWCIFAAOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FN3/c4-1-3-5-2-6-7-3/h2H,1H2,(H,5,6,7).
What are the key properties of 5-(fluoromethyl)-1H-1,2,4-triazole?
5-(fluoromethyl)-1H-1,2,4-triazole has a molecular weight of 101.08 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 57268373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).