5-fluoro-1-methyl-4-(2-methylpropyl)triazole

C7H12FN3 — CID 69382283

IUPAC5-fluoro-1-methyl-4-(2-methylpropyl)triazole
SMILESCC(C)Cc1nnn(C)c1F
InChIInChI=1S/C7H12FN3/c1-5(2)4-6-7(8)11(3)10-9-6/h5H,4H2,1-3H3
InChIKeyYBNWAMZHARPKSF-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.15
Rot. Bonds2

About 5-fluoro-1-methyl-4-(2-methylpropyl)triazole

5-fluoro-1-methyl-4-(2-methylpropyl)triazole (PubChem CID 69382283) has the molecular formula C7H12FN3 and a molecular weight of 157.19 g/mol. Its IUPAC name is 5-fluoro-1-methyl-4-(2-methylpropyl)triazole.

Molecular Properties

Compound Name5-fluoro-1-methyl-4-(2-methylpropyl)triazole
PubChem CID69382283
Molecular FormulaC7H12FN3
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name5-fluoro-1-methyl-4-(2-methylpropyl)triazole
SMILESCC(C)Cc1nnn(C)c1F
InChIInChI=1S/C7H12FN3/c1-5(2)4-6-7(8)11(3)10-9-6/h5H,4H2,1-3H3
InChIKeyYBNWAMZHARPKSF-UHFFFAOYSA-N
XLogP1.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethyl-4-(2-methylpropyl)-5-(trifluoromethyl)triazole
CID 69381537
1-Ethyl-4-fluoro-5-(2-methylpropyl)triazole
CID 69381558
4-Fluoro-1-propan-2-yl-5-propyltriazole
CID 69381889
5-Fluoro-4-(2-methylpropyl)-1-propyltriazole
CID 69381953
4-Butyl-5-fluoro-1-methyltriazole
CID 69381966
4-Butyl-5-fluoro-1-hexyltriazole
CID 69382035
5-Fluoro-1-hexyl-4-propan-2-yltriazole
CID 69382085
4-Fluoro-5-(2-methylpropyl)-1-propan-2-yltriazole
CID 69382176
4-Fluoro-5-propan-2-yl-1-propyltriazole
CID 69382444
4-Ethyl-5-fluoro-1-methyltriazole
CID 69382500
5-Butyl-4-fluoro-1-propyltriazole
CID 69382528
4-Fluoro-1-hexyl-5-(2-methylpropyl)triazole
CID 69382570

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-4-(2-methylpropyl)triazole?
The IUPAC name of 5-fluoro-1-methyl-4-(2-methylpropyl)triazole (CID 69382283) is 5-fluoro-1-methyl-4-(2-methylpropyl)triazole.
What is the SMILES notation for 5-fluoro-1-methyl-4-(2-methylpropyl)triazole?
The canonical SMILES for 5-fluoro-1-methyl-4-(2-methylpropyl)triazole is CC(C)Cc1nnn(C)c1F.
What is the InChIKey of 5-fluoro-1-methyl-4-(2-methylpropyl)triazole?
The InChIKey is YBNWAMZHARPKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3/c1-5(2)4-6-7(8)11(3)10-9-6/h5H,4H2,1-3H3.
What are the key properties of 5-fluoro-1-methyl-4-(2-methylpropyl)triazole?
5-fluoro-1-methyl-4-(2-methylpropyl)triazole has a molecular weight of 157.19 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-4-(2-methylpropyl)triazole is sourced from PubChem (CID 69382283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).