1-ethyl-3-(1-fluorocyclopropyl)-5-methyl-1,2,4-triazole;1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole

C16H24F2N6 — CID 160554935

IUPAC1-ethyl-3-(1-fluorocyclopropyl)-5-methyl-1,2,4-triazole;1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole
SMILESCCn1nc(C)nc1C1(F)CC1.CCn1nc(C2(F)CC2)nc1C
InChIInChI=1S/2C8H12FN3/c1-3-12-6(2)10-7(11-12)8(9)4-5-8;1-3-12-7(8(9)4-5-8)10-6(2)11-12/h2*3-5H2,1-2H3
InChIKeyQYOAWVZSHQFBIH-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.13
Rot. Bonds4

About 1-ethyl-3-(1-fluorocyclopropyl)-5-methyl-1,2,4-triazole;1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole

1-ethyl-3-(1-fluorocyclopropyl)-5-methyl-1,2,4-triazole;1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole (PubChem CID 160554935) has the molecular formula C16H24F2N6 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-ethyl-3-(1-fluorocyclopropyl)-5-methyl-1,2,4-triazole;1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-3-(1-fluorocyclopropyl)-5-methyl-1,2,4-triazole;1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole
PubChem CID160554935
Molecular FormulaC16H24F2N6
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name1-ethyl-3-(1-fluorocyclopropyl)-5-methyl-1,2,4-triazole;1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole
SMILESCCn1nc(C)nc1C1(F)CC1.CCn1nc(C2(F)CC2)nc1C
InChIInChI=1S/2C8H12FN3/c1-3-12-6(2)10-7(11-12)8(9)4-5-8;1-3-12-7(8(9)4-5-8)10-6(2)11-12/h2*3-5H2,1-2H3
InChIKeyQYOAWVZSHQFBIH-UHFFFAOYSA-N
XLogP3.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-fluorocyclopropyl)-5-methyl-1,2,4-triazole;1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole?
The IUPAC name of 1-ethyl-3-(1-fluorocyclopropyl)-5-methyl-1,2,4-triazole;1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole (CID 160554935) is 1-ethyl-3-(1-fluorocyclopropyl)-5-methyl-1,2,4-triazole;1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-3-(1-fluorocyclopropyl)-5-methyl-1,2,4-triazole;1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole?
The canonical SMILES for 1-ethyl-3-(1-fluorocyclopropyl)-5-methyl-1,2,4-triazole;1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole is CCn1nc(C)nc1C1(F)CC1.CCn1nc(C2(F)CC2)nc1C.
What is the InChIKey of 1-ethyl-3-(1-fluorocyclopropyl)-5-methyl-1,2,4-triazole;1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole?
The InChIKey is QYOAWVZSHQFBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12FN3/c1-3-12-6(2)10-7(11-12)8(9)4-5-8;1-3-12-7(8(9)4-5-8)10-6(2)11-12/h2*3-5H2,1-2H3.
What are the key properties of 1-ethyl-3-(1-fluorocyclopropyl)-5-methyl-1,2,4-triazole;1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole?
1-ethyl-3-(1-fluorocyclopropyl)-5-methyl-1,2,4-triazole;1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole has a molecular weight of 338.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-fluorocyclopropyl)-5-methyl-1,2,4-triazole;1-ethyl-5-(1-fluorocyclopropyl)-3-methyl-1,2,4-triazole is sourced from PubChem (CID 160554935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).