1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazole

C7H10FN3 — CID 146512196

IUPAC1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazole
SMILESCCn1ncnc1C1(F)CC1
InChIInChI=1S/C7H10FN3/c1-2-11-6(9-5-10-11)7(8)3-4-7/h5H,2-4H2,1H3
InChIKeyXDZQQUQALOCREO-UHFFFAOYSA-N
MW155.18 g/mol
LogP1.26
Rot. Bonds2

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

1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazole (PubChem CID 146512196) has the molecular formula C7H10FN3 and a molecular weight of 155.18 g/mol. Its IUPAC name is 1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazole
PubChem CID146512196
Molecular FormulaC7H10FN3
Molecular Weight155.18 g/mol
Exact Mass155.09
IUPAC Name1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazole
SMILESCCn1ncnc1C1(F)CC1
InChIInChI=1S/C7H10FN3/c1-2-11-6(9-5-10-11)7(8)3-4-7/h5H,2-4H2,1H3
InChIKeyXDZQQUQALOCREO-UHFFFAOYSA-N
XLogP1.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-4-methyl-4H-1,2,4-triazole
CID 46318327
5-isopropyl-1-methyl-1H-1,2,4-triazole
CID 15496056
5-Cyclopropyl-1-methyl-1,2,4-triazole
CID 15496057
3-Butyl-1-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 21869109
1-Butan-2-yl-5-(1,1-difluorobutyl)-1,2,4-triazole
CID 54455565
3-Tert-butyl-1-(difluoromethyl)-1,2,4-triazole
CID 58049405
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 58203888
3-(1,1-Difluoroethyl)-1-methyl-1,2,4-triazole
CID 59330590
4-Ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 115394671
1-Butyl-3-(trifluoromethyl)-1,2,4-triazole
CID 117913838
1-(2-Fluoroethyl)-3-propan-2-yl-1,2,4-triazole
CID 118462858
1-(2,2-Difluoroethyl)-3-propan-2-yl-1,2,4-triazole
CID 118462860

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazole?
The IUPAC name of 1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazole (CID 146512196) is 1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazole?
The canonical SMILES for 1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazole is CCn1ncnc1C1(F)CC1.
What is the InChIKey of 1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazole?
The InChIKey is XDZQQUQALOCREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3/c1-2-11-6(9-5-10-11)7(8)3-4-7/h5H,2-4H2,1H3.
What are the key properties of 1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazole?
1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazole has a molecular weight of 155.18 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazole is sourced from PubChem (CID 146512196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).