[1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid

C13H14F3N7O2 — CID 89477503

IUPAC[1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CN(c2nc3ncc(C(F)(F)F)cc3nc2NN)C1
InChIInChI=1S/C13H14F3N7O2/c1-22(12(24)25)7-4-23(5-7)11-10(21-17)19-8-2-6(13(14,15)16)3-18-9(8)20-11/h2-3,7H,4-5,17H2,1H3,(H,19,21)(H,24,25)
InChIKeyIUNYWCJHAICDLK-UHFFFAOYSA-N
MW357.30 g/mol
LogP1.13
Rot. Bonds3

About [1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid

[1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid (PubChem CID 89477503) has the molecular formula C13H14F3N7O2 and a molecular weight of 357.30 g/mol. Its IUPAC name is [1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid
PubChem CID89477503
Molecular FormulaC13H14F3N7O2
Molecular Weight357.30 g/mol
Exact Mass357.12
IUPAC Name[1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CN(c2nc3ncc(C(F)(F)F)cc3nc2NN)C1
InChIInChI=1S/C13H14F3N7O2/c1-22(12(24)25)7-4-23(5-7)11-10(21-17)19-8-2-6(13(14,15)16)3-18-9(8)20-11/h2-3,7H,4-5,17H2,1H3,(H,19,21)(H,24,25)
InChIKeyIUNYWCJHAICDLK-UHFFFAOYSA-N
XLogP1.13
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid?
The IUPAC name of [1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid (CID 89477503) is [1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid.
What is the SMILES notation for [1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid?
The canonical SMILES for [1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid is CN(C(=O)O)C1CN(c2nc3ncc(C(F)(F)F)cc3nc2NN)C1.
What is the InChIKey of [1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid?
The InChIKey is IUNYWCJHAICDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N7O2/c1-22(12(24)25)7-4-23(5-7)11-10(21-17)19-8-2-6(13(14,15)16)3-18-9(8)20-11/h2-3,7H,4-5,17H2,1H3,(H,19,21)(H,24,25).
What are the key properties of [1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid?
[1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid has a molecular weight of 357.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-hydrazinyl-7-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]azetidin-3-yl]-methylcarbamic acid is sourced from PubChem (CID 89477503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).