[3,3-difluoro-1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutyl]carbamic acid

C8H10F2N4O2 — CID 155069441

IUPAC[3,3-difluoro-1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutyl]carbamic acid
SMILESCc1nc(C2(NC(=O)O)CC(F)(F)C2)n[nH]1
InChIInChI=1S/C8H10F2N4O2/c1-4-11-5(14-13-4)7(12-6(15)16)2-8(9,10)3-7/h12H,2-3H2,1H3,(H,15,16)(H,11,13,14)
InChIKeyMIPNXNBKZQULFI-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.01
Rot. Bonds2

About [3,3-difluoro-1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutyl]carbamic acid

[3,3-difluoro-1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutyl]carbamic acid (PubChem CID 155069441) has the molecular formula C8H10F2N4O2 and a molecular weight of 232.19 g/mol. Its IUPAC name is [3,3-difluoro-1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3,3-difluoro-1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutyl]carbamic acid
PubChem CID155069441
Molecular FormulaC8H10F2N4O2
Molecular Weight232.19 g/mol
Exact Mass232.08
IUPAC Name[3,3-difluoro-1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutyl]carbamic acid
SMILESCc1nc(C2(NC(=O)O)CC(F)(F)C2)n[nH]1
InChIInChI=1S/C8H10F2N4O2/c1-4-11-5(14-13-4)7(12-6(15)16)2-8(9,10)3-7/h12H,2-3H2,1H3,(H,15,16)(H,11,13,14)
InChIKeyMIPNXNBKZQULFI-UHFFFAOYSA-N
XLogP1.01
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutyl]carbamic acid?
The IUPAC name of [3,3-difluoro-1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutyl]carbamic acid (CID 155069441) is [3,3-difluoro-1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutyl]carbamic acid.
What is the SMILES notation for [3,3-difluoro-1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutyl]carbamic acid?
The canonical SMILES for [3,3-difluoro-1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutyl]carbamic acid is Cc1nc(C2(NC(=O)O)CC(F)(F)C2)n[nH]1.
What is the InChIKey of [3,3-difluoro-1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutyl]carbamic acid?
The InChIKey is MIPNXNBKZQULFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N4O2/c1-4-11-5(14-13-4)7(12-6(15)16)2-8(9,10)3-7/h12H,2-3H2,1H3,(H,15,16)(H,11,13,14).
What are the key properties of [3,3-difluoro-1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutyl]carbamic acid?
[3,3-difluoro-1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutyl]carbamic acid has a molecular weight of 232.19 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclobutyl]carbamic acid is sourced from PubChem (CID 155069441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).