4-fluoro-5-methyl-1-propan-2-yltriazole

C6H10FN3 — CID 69382805

IUPAC4-fluoro-5-methyl-1-propan-2-yltriazole
SMILESCc1c(F)nnn1C(C)C
InChIInChI=1S/C6H10FN3/c1-4(2)10-5(3)6(7)8-9-10/h4H,1-3H3
InChIKeyCGSQJAKZRAVIOA-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.31
Rot. Bonds1

About 4-fluoro-5-methyl-1-propan-2-yltriazole

4-fluoro-5-methyl-1-propan-2-yltriazole (PubChem CID 69382805) has the molecular formula C6H10FN3 and a molecular weight of 143.16 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1-propan-2-yltriazole.

Molecular Properties

Compound Name4-fluoro-5-methyl-1-propan-2-yltriazole
PubChem CID69382805
Molecular FormulaC6H10FN3
Molecular Weight143.16 g/mol
Exact Mass143.09
IUPAC Name4-fluoro-5-methyl-1-propan-2-yltriazole
SMILESCc1c(F)nnn1C(C)C
InChIInChI=1S/C6H10FN3/c1-4(2)10-5(3)6(7)8-9-10/h4H,1-3H3
InChIKeyCGSQJAKZRAVIOA-UHFFFAOYSA-N
XLogP1.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-5-methyl-1-propan-2-yltriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-Dimethyl-1-propan-2-yltriazole
CID 13718122
1-Ethyl-5-fluoro-4-(trifluoromethyl)triazole
CID 69381685
1-Butyl-4-fluoro-5-(trifluoromethyl)triazole
CID 69381703
3-Ethyl-5-fluorotriazole-4-carbonitrile
CID 69381924
5-Fluoro-3-propyltriazole-4-carbonitrile
CID 69381968
5-Ethyl-4-fluoro-1-propan-2-yltriazole
CID 69382265
5-Methyl-1-propan-2-yl-4-(trifluoromethyl)triazole
CID 69382496
4-Methyl-1-propan-2-yl-5-(trifluoromethyl)triazole
CID 69382511
4-Fluoro-1-propyl-5-(trifluoromethyl)triazole
CID 69382881
1-Ethyl-5-fluoro-4-methyltriazole
CID 69382924
1-Ethyl-4-fluoro-5-methyltriazole
CID 69382968
1-Butyl-5-ethyl-4-fluorotriazole
CID 69383339

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-1-propan-2-yltriazole?
The IUPAC name of 4-fluoro-5-methyl-1-propan-2-yltriazole (CID 69382805) is 4-fluoro-5-methyl-1-propan-2-yltriazole.
What is the SMILES notation for 4-fluoro-5-methyl-1-propan-2-yltriazole?
The canonical SMILES for 4-fluoro-5-methyl-1-propan-2-yltriazole is Cc1c(F)nnn1C(C)C.
What is the InChIKey of 4-fluoro-5-methyl-1-propan-2-yltriazole?
The InChIKey is CGSQJAKZRAVIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3/c1-4(2)10-5(3)6(7)8-9-10/h4H,1-3H3.
What are the key properties of 4-fluoro-5-methyl-1-propan-2-yltriazole?
4-fluoro-5-methyl-1-propan-2-yltriazole has a molecular weight of 143.16 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1-propan-2-yltriazole is sourced from PubChem (CID 69382805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).