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

C13H17N7O2 — CID 89477554

IUPAC[1-(2-hydrazinyl-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid
SMILESCc1cnc2nc(N3CC(N(C)C(=O)O)C3)c(NN)nc2c1
InChIInChI=1S/C13H17N7O2/c1-7-3-9-10(15-4-7)17-12(11(16-9)18-14)20-5-8(6-20)19(2)13(21)22/h3-4,8H,5-6,14H2,1-2H3,(H,16,18)(H,21,22)
InChIKeyWEPZTRDCFKJFDE-UHFFFAOYSA-N
MW303.33 g/mol
LogP0.42
Rot. Bonds3

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

[1-(2-hydrazinyl-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid (PubChem CID 89477554) has the molecular formula C13H17N7O2 and a molecular weight of 303.33 g/mol. Its IUPAC name is [1-(2-hydrazinyl-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-(2-hydrazinyl-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid
PubChem CID89477554
Molecular FormulaC13H17N7O2
Molecular Weight303.33 g/mol
Exact Mass303.14
IUPAC Name[1-(2-hydrazinyl-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid
SMILESCc1cnc2nc(N3CC(N(C)C(=O)O)C3)c(NN)nc2c1
InChIInChI=1S/C13H17N7O2/c1-7-3-9-10(15-4-7)17-12(11(16-9)18-14)20-5-8(6-20)19(2)13(21)22/h3-4,8H,5-6,14H2,1-2H3,(H,16,18)(H,21,22)
InChIKeyWEPZTRDCFKJFDE-UHFFFAOYSA-N
XLogP0.42
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 50.42
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-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid?
The IUPAC name of [1-(2-hydrazinyl-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid (CID 89477554) is [1-(2-hydrazinyl-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid.
What is the SMILES notation for [1-(2-hydrazinyl-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid?
The canonical SMILES for [1-(2-hydrazinyl-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid is Cc1cnc2nc(N3CC(N(C)C(=O)O)C3)c(NN)nc2c1.
What is the InChIKey of [1-(2-hydrazinyl-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid?
The InChIKey is WEPZTRDCFKJFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O2/c1-7-3-9-10(15-4-7)17-12(11(16-9)18-14)20-5-8(6-20)19(2)13(21)22/h3-4,8H,5-6,14H2,1-2H3,(H,16,18)(H,21,22).
What are the key properties of [1-(2-hydrazinyl-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid?
[1-(2-hydrazinyl-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid has a molecular weight of 303.33 g/mol, XLogP of 0.42, 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-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid is sourced from PubChem (CID 89477554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).