1-(5-methylpyrazin-2-yl)oxycyclohexane-1-carbohydrazide

C12H18N4O2 — CID 175918489

IUPAC1-(5-methylpyrazin-2-yl)oxycyclohexane-1-carbohydrazide
SMILESCc1cnc(OC2(C(=O)NN)CCCCC2)cn1
InChIInChI=1S/C12H18N4O2/c1-9-7-15-10(8-14-9)18-12(11(17)16-13)5-3-2-4-6-12/h7-8H,2-6,13H2,1H3,(H,16,17)
InChIKeyPRCQYKHBDAKBPJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.86
Rot. Bonds3

About 1-(5-methylpyrazin-2-yl)oxycyclohexane-1-carbohydrazide

1-(5-methylpyrazin-2-yl)oxycyclohexane-1-carbohydrazide (PubChem CID 175918489) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(5-methylpyrazin-2-yl)oxycyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name1-(5-methylpyrazin-2-yl)oxycyclohexane-1-carbohydrazide
PubChem CID175918489
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-(5-methylpyrazin-2-yl)oxycyclohexane-1-carbohydrazide
SMILESCc1cnc(OC2(C(=O)NN)CCCCC2)cn1
InChIInChI=1S/C12H18N4O2/c1-9-7-15-10(8-14-9)18-12(11(17)16-13)5-3-2-4-6-12/h7-8H,2-6,13H2,1H3,(H,16,17)
InChIKeyPRCQYKHBDAKBPJ-UHFFFAOYSA-N
XLogP0.86
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-(5-methylpyrazin-2-yl)oxycyclohexane-1-carbohydrazide?
The IUPAC name of 1-(5-methylpyrazin-2-yl)oxycyclohexane-1-carbohydrazide (CID 175918489) is 1-(5-methylpyrazin-2-yl)oxycyclohexane-1-carbohydrazide.
What is the SMILES notation for 1-(5-methylpyrazin-2-yl)oxycyclohexane-1-carbohydrazide?
The canonical SMILES for 1-(5-methylpyrazin-2-yl)oxycyclohexane-1-carbohydrazide is Cc1cnc(OC2(C(=O)NN)CCCCC2)cn1.
What is the InChIKey of 1-(5-methylpyrazin-2-yl)oxycyclohexane-1-carbohydrazide?
The InChIKey is PRCQYKHBDAKBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-7-15-10(8-14-9)18-12(11(17)16-13)5-3-2-4-6-12/h7-8H,2-6,13H2,1H3,(H,16,17).
What are the key properties of 1-(5-methylpyrazin-2-yl)oxycyclohexane-1-carbohydrazide?
1-(5-methylpyrazin-2-yl)oxycyclohexane-1-carbohydrazide has a molecular weight of 250.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazin-2-yl)oxycyclohexane-1-carbohydrazide is sourced from PubChem (CID 175918489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).