[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(1-methylpyrazol-3-yl)ethylidene]propanehydrazonate

C18H26N6O — CID 134557294

IUPAC[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(1-methylpyrazol-3-yl)ethylidene]propanehydrazonate
SMILESCCC(=NN=C(C)c1ccn(C)n1)OCc1c(C)cccc1N(C)N
InChIInChI=1S/C18H26N6O/c1-6-18(21-20-14(3)16-10-11-23(4)22-16)25-12-15-13(2)8-7-9-17(15)24(5)19/h7-11H,6,12,19H2,1-5H3
InChIKeyVDBYSEAHQBEJOP-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.79
Rot. Bonds6

About [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(1-methylpyrazol-3-yl)ethylidene]propanehydrazonate

[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(1-methylpyrazol-3-yl)ethylidene]propanehydrazonate (PubChem CID 134557294) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(1-methylpyrazol-3-yl)ethylidene]propanehydrazonate.

Molecular Properties

Compound Name[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(1-methylpyrazol-3-yl)ethylidene]propanehydrazonate
PubChem CID134557294
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(1-methylpyrazol-3-yl)ethylidene]propanehydrazonate
SMILESCCC(=NN=C(C)c1ccn(C)n1)OCc1c(C)cccc1N(C)N
InChIInChI=1S/C18H26N6O/c1-6-18(21-20-14(3)16-10-11-23(4)22-16)25-12-15-13(2)8-7-9-17(15)24(5)19/h7-11H,6,12,19H2,1-5H3
InChIKeyVDBYSEAHQBEJOP-UHFFFAOYSA-N
XLogP2.79
TPSA81.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(1-methylpyrazol-3-yl)ethylidene]propanehydrazonate?
The IUPAC name of [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(1-methylpyrazol-3-yl)ethylidene]propanehydrazonate (CID 134557294) is [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(1-methylpyrazol-3-yl)ethylidene]propanehydrazonate.
What is the SMILES notation for [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(1-methylpyrazol-3-yl)ethylidene]propanehydrazonate?
The canonical SMILES for [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(1-methylpyrazol-3-yl)ethylidene]propanehydrazonate is CCC(=NN=C(C)c1ccn(C)n1)OCc1c(C)cccc1N(C)N.
What is the InChIKey of [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(1-methylpyrazol-3-yl)ethylidene]propanehydrazonate?
The InChIKey is VDBYSEAHQBEJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-6-18(21-20-14(3)16-10-11-23(4)22-16)25-12-15-13(2)8-7-9-17(15)24(5)19/h7-11H,6,12,19H2,1-5H3.
What are the key properties of [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(1-methylpyrazol-3-yl)ethylidene]propanehydrazonate?
[2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(1-methylpyrazol-3-yl)ethylidene]propanehydrazonate has a molecular weight of 342.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[amino(methyl)amino]-6-methylphenyl]methyl N-[1-(1-methylpyrazol-3-yl)ethylidene]propanehydrazonate is sourced from PubChem (CID 134557294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).