5-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyltetrazole

C7H12FN5 — CID 107061518

IUPAC5-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyltetrazole
SMILESCn1nnc(CC2(F)CCNC2)n1
InChIInChI=1S/C7H12FN5/c1-13-11-6(10-12-13)4-7(8)2-3-9-5-7/h9H,2-5H2,1H3
InChIKeyWWWPTDNYFKISLA-UHFFFAOYSA-N
MW185.21 g/mol
LogP-0.55
Rot. Bonds2

About 5-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyltetrazole

5-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyltetrazole (PubChem CID 107061518) has the molecular formula C7H12FN5 and a molecular weight of 185.21 g/mol. Its IUPAC name is 5-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyltetrazole
PubChem CID107061518
Molecular FormulaC7H12FN5
Molecular Weight185.21 g/mol
Exact Mass185.11
IUPAC Name5-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyltetrazole
SMILESCn1nnc(CC2(F)CCNC2)n1
InChIInChI=1S/C7H12FN5/c1-13-11-6(10-12-13)4-7(8)2-3-9-5-7/h9H,2-5H2,1H3
InChIKeyWWWPTDNYFKISLA-UHFFFAOYSA-N
XLogP-0.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyltetrazole?
The IUPAC name of 5-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyltetrazole (CID 107061518) is 5-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyltetrazole.
What is the SMILES notation for 5-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyltetrazole?
The canonical SMILES for 5-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyltetrazole is Cn1nnc(CC2(F)CCNC2)n1.
What is the InChIKey of 5-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyltetrazole?
The InChIKey is WWWPTDNYFKISLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN5/c1-13-11-6(10-12-13)4-7(8)2-3-9-5-7/h9H,2-5H2,1H3.
What are the key properties of 5-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyltetrazole?
5-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyltetrazole has a molecular weight of 185.21 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyltetrazole is sourced from PubChem (CID 107061518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).