5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole

C7H11FN4 — CID 114691723

IUPAC5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole
SMILESCn1nncc1C1(F)CCNC1
InChIInChI=1S/C7H11FN4/c1-12-6(4-10-11-12)7(8)2-3-9-5-7/h4,9H,2-3,5H2,1H3
InChIKeyKYEFMARKTYBWIL-UHFFFAOYSA-N
MW170.19 g/mol
LogP-0.03
Rot. Bonds1

About 5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole

5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole (PubChem CID 114691723) has the molecular formula C7H11FN4 and a molecular weight of 170.19 g/mol. Its IUPAC name is 5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole.

Molecular Properties

Compound Name5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole
PubChem CID114691723
Molecular FormulaC7H11FN4
Molecular Weight170.19 g/mol
Exact Mass170.10
IUPAC Name5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole
SMILESCn1nncc1C1(F)CCNC1
InChIInChI=1S/C7H11FN4/c1-12-6(4-10-11-12)7(8)2-3-9-5-7/h4,9H,2-3,5H2,1H3
InChIKeyKYEFMARKTYBWIL-UHFFFAOYSA-N
XLogP-0.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole
CID 112564397
5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole
CID 114688275
2-(3-methyltriazol-4-yl)-2-propylazepane
CID 114688469
4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine
CID 114667670
3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine
CID 114667654
(3-methyltriazol-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 114692008
3-(3,5-dichlorophenyl)-3-fluoropyrrolidine
CID 25143664
3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 114685052
4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrochloride
CID 170931641
3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclopentan-1-ol
CID 114685262
(3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine
CID 98774589
3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 114685035

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole?
The IUPAC name of 5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole (CID 114691723) is 5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole.
What is the SMILES notation for 5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole?
The canonical SMILES for 5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole is Cn1nncc1C1(F)CCNC1.
What is the InChIKey of 5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole?
The InChIKey is KYEFMARKTYBWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4/c1-12-6(4-10-11-12)7(8)2-3-9-5-7/h4,9H,2-3,5H2,1H3.
What are the key properties of 5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole?
5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole has a molecular weight of 170.19 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole is sourced from PubChem (CID 114691723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).