1-(3-fluoropropyl)-5-methyltriazole

C6H10FN3 — CID 157031814

IUPAC1-(3-fluoropropyl)-5-methyltriazole
SMILESCc1cnnn1CCCF
InChIInChI=1S/C6H10FN3/c1-6-5-8-9-10(6)4-2-3-7/h5H,2-4H2,1H3
InChIKeyWLMTVFWCNFMDBU-UHFFFAOYSA-N
MW143.16 g/mol
LogP0.95
Rot. Bonds3

About 1-(3-fluoropropyl)-5-methyltriazole

1-(3-fluoropropyl)-5-methyltriazole (PubChem CID 157031814) has the molecular formula C6H10FN3 and a molecular weight of 143.16 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-5-methyltriazole.

Molecular Properties

Compound Name1-(3-fluoropropyl)-5-methyltriazole
PubChem CID157031814
Molecular FormulaC6H10FN3
Molecular Weight143.16 g/mol
Exact Mass143.09
IUPAC Name1-(3-fluoropropyl)-5-methyltriazole
SMILESCc1cnnn1CCCF
InChIInChI=1S/C6H10FN3/c1-6-5-8-9-10(6)4-2-3-7/h5H,2-4H2,1H3
InChIKeyWLMTVFWCNFMDBU-UHFFFAOYSA-N
XLogP0.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(trifluoromethyl)-1H-1,2,3-triazole
CID 14489354
1,5-dimethyl-1H-1,2,3-triazole
CID 15257141
2-(4-Methyl-1H-1,2,3-triazol-1-yl)ethanamine
CID 45791271
4-(chloromethyl)-1-ethyl-1H-1,2,3-triazole
CID 55211891
(1-Methyl-1H-1,2,3-triazol-5-YL)methanamine
CID 55262944
(1-ethyl-1H-1,2,3-triazol-5-yl)methanamine
CID 72214389
5-ethynyl-1-methyl-1H-1,2,3-triazole
CID 114690178
4-Ethyl-1-(2-fluoroethyl)triazole
CID 58251782
4-Methyl-1-prop-2-enyltriazole
CID 13553893
1,4-Dimethyl-1H-1,2,3-triazole
CID 15257142
1-Methyl-5-(trifluoromethyl)triazole
CID 14489355
5-(chloromethyl)-1-ethyl-1H-1,2,3-triazole hydrochloride
CID 121552995

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-5-methyltriazole?
The IUPAC name of 1-(3-fluoropropyl)-5-methyltriazole (CID 157031814) is 1-(3-fluoropropyl)-5-methyltriazole.
What is the SMILES notation for 1-(3-fluoropropyl)-5-methyltriazole?
The canonical SMILES for 1-(3-fluoropropyl)-5-methyltriazole is Cc1cnnn1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-5-methyltriazole?
The InChIKey is WLMTVFWCNFMDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3/c1-6-5-8-9-10(6)4-2-3-7/h5H,2-4H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-5-methyltriazole?
1-(3-fluoropropyl)-5-methyltriazole has a molecular weight of 143.16 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-5-methyltriazole is sourced from PubChem (CID 157031814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).