5-(2-fluoropropan-2-yl)-1H-1,2,4-triazole

C5H8FN3 — CID 154459933

IUPAC5-(2-fluoropropan-2-yl)-1H-1,2,4-triazole
SMILESCC(C)(F)c1ncn[nH]1
InChIInChI=1S/C5H8FN3/c1-5(2,6)4-7-3-8-9-4/h3H,1-2H3,(H,7,8,9)
InChIKeyYJXUNVMVMPWKJW-UHFFFAOYSA-N
MW129.14 g/mol
LogP1.01
Rot. Bonds1

About 5-(2-fluoropropan-2-yl)-1H-1,2,4-triazole

5-(2-fluoropropan-2-yl)-1H-1,2,4-triazole (PubChem CID 154459933) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-1H-1,2,4-triazole
PubChem CID154459933
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name5-(2-fluoropropan-2-yl)-1H-1,2,4-triazole
SMILESCC(C)(F)c1ncn[nH]1
InChIInChI=1S/C5H8FN3/c1-5(2,6)4-7-3-8-9-4/h3H,1-2H3,(H,7,8,9)
InChIKeyYJXUNVMVMPWKJW-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 51.01
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
3-Isopropyl-1H-1,2,4-triazole
CID 21547708
s-Triazole, 3-propyl-
CID 519726
3-cyclopropyl-1H-1,2,4-triazole
CID 19608838
Iem 760
CID 193439
3-tert-butyl-1H-1,2,4-triazole
CID 15745252
2-(4H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 54595645
3-(1H-1,2,4-triazol-3-yl)propan-1-amine hydrochloride
CID 91654460
5-butyl-1H-1,2,4-triazole
CID 558187
2-(4H-1,2,4-triazol-3-yl)propan-2-amine
CID 61360616
2-(4H-1,2,4-triazol-3-yl)propan-2-amine dihydrochloride
CID 73994674

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2-fluoropropan-2-yl)-1H-1,2,4-triazole (CID 154459933) is 5-(2-fluoropropan-2-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-1H-1,2,4-triazole is CC(C)(F)c1ncn[nH]1.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-1H-1,2,4-triazole?
The InChIKey is YJXUNVMVMPWKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-5(2,6)4-7-3-8-9-4/h3H,1-2H3,(H,7,8,9).
What are the key properties of 5-(2-fluoropropan-2-yl)-1H-1,2,4-triazole?
5-(2-fluoropropan-2-yl)-1H-1,2,4-triazole has a molecular weight of 129.14 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 154459933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).