6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine

C13H17N5O — CID 80920324

IUPAC6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine
SMILESCC(C)Oc1ccc(Nc2cncc(NN)n2)cc1
InChIInChI=1S/C13H17N5O/c1-9(2)19-11-5-3-10(4-6-11)16-12-7-15-8-13(17-12)18-14/h3-9H,14H2,1-2H3,(H2,16,17,18)
InChIKeyVEGLDTREESNUMK-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.29
Rot. Bonds5

About 6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine

6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine (PubChem CID 80920324) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine
PubChem CID80920324
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine
SMILESCC(C)Oc1ccc(Nc2cncc(NN)n2)cc1
InChIInChI=1S/C13H17N5O/c1-9(2)19-11-5-3-10(4-6-11)16-12-7-15-8-13(17-12)18-14/h3-9H,14H2,1-2H3,(H2,16,17,18)
InChIKeyVEGLDTREESNUMK-UHFFFAOYSA-N
XLogP2.29
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine?
The IUPAC name of 6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine (CID 80920324) is 6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine is CC(C)Oc1ccc(Nc2cncc(NN)n2)cc1.
What is the InChIKey of 6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine?
The InChIKey is VEGLDTREESNUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9(2)19-11-5-3-10(4-6-11)16-12-7-15-8-13(17-12)18-14/h3-9H,14H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine?
6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 80920324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).