1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide

C18H25N5O2 — CID 144784323

IUPAC1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESCc1ncccc1OCc1c(C2CC2)cccc1N(C)N.NNC=O
InChIInChI=1S/C17H21N3O.CH4N2O/c1-12-17(7-4-10-19-12)21-11-15-14(13-8-9-13)5-3-6-16(15)20(2)18;2-3-1-4/h3-7,10,13H,8-9,11,18H2,1-2H3;1H,2H2,(H,3,4)
InChIKeyZWKWGDQNJFUZSB-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.76
Rot. Bonds6

About 1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide

1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide (PubChem CID 144784323) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide.

Molecular Properties

Compound Name1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide
PubChem CID144784323
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESCc1ncccc1OCc1c(C2CC2)cccc1N(C)N.NNC=O
InChIInChI=1S/C17H21N3O.CH4N2O/c1-12-17(7-4-10-19-12)21-11-15-14(13-8-9-13)5-3-6-16(15)20(2)18;2-3-1-4/h3-7,10,13H,8-9,11,18H2,1-2H3;1H,2H2,(H,3,4)
InChIKeyZWKWGDQNJFUZSB-UHFFFAOYSA-N
XLogP1.76
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide?
The IUPAC name of 1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide (CID 144784323) is 1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide.
What is the SMILES notation for 1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide?
The canonical SMILES for 1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide is Cc1ncccc1OCc1c(C2CC2)cccc1N(C)N.NNC=O.
What is the InChIKey of 1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide?
The InChIKey is ZWKWGDQNJFUZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.CH4N2O/c1-12-17(7-4-10-19-12)21-11-15-14(13-8-9-13)5-3-6-16(15)20(2)18;2-3-1-4/h3-7,10,13H,8-9,11,18H2,1-2H3;1H,2H2,(H,3,4).
What are the key properties of 1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide?
1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide has a molecular weight of 343.43 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-2-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]-1-methylhydrazine;formohydrazide is sourced from PubChem (CID 144784323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).