N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C13H12N6 — CID 170856257

IUPACN-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(N/N=C/c3ccccc3)nn12
InChIInChI=1S/C13H12N6/c1-10-15-17-13-8-7-12(18-19(10)13)16-14-9-11-5-3-2-4-6-11/h2-9H,1H3,(H,16,18)/b14-9+
InChIKeyMQUWEXRGZUIULP-NTEUORMPSA-N
MW252.28 g/mol
LogP1.88
Rot. Bonds3

About N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 170856257) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID170856257
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC NameN-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(N/N=C/c3ccccc3)nn12
InChIInChI=1S/C13H12N6/c1-10-15-17-13-8-7-12(18-19(10)13)16-14-9-11-5-3-2-4-6-11/h2-9H,1H3,(H,16,18)/b14-9+
InChIKeyMQUWEXRGZUIULP-NTEUORMPSA-N
XLogP1.88
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]phenol
CID 5294949
2-methoxy-4-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]phenol
CID 4919149
3-(4-bromophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 6164575
4-[(E)-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135490772
N-[(E)-benzylideneamino]-6-methoxypyridazin-3-amine
CID 139215659
N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine
CID 6413765
3-(2-chloro-6-fluorophenyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 6229686
2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetic acid
CID 4736985
3-methyl-N-[(4-phenylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133397227
N-[(2S)-2-methoxy-2-phenylethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 96562884
3-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133379823
N-[(4-fluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 4072476

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 170856257) is N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc2ccc(N/N=C/c3ccccc3)nn12.
What is the InChIKey of N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is MQUWEXRGZUIULP-NTEUORMPSA-N. The full InChI is InChI=1S/C13H12N6/c1-10-15-17-13-8-7-12(18-19(10)13)16-14-9-11-5-3-2-4-6-11/h2-9H,1H3,(H,16,18)/b14-9+.
What are the key properties of N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 252.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 170856257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).