4-(aminomethyl)-N-benzylpyridazin-3-amine

C12H14N4 — CID 14042752

IUPAC4-(aminomethyl)-N-benzylpyridazin-3-amine
SMILESNCc1ccnnc1NCc1ccccc1
InChIInChI=1S/C12H14N4/c13-8-11-6-7-15-16-12(11)14-9-10-4-2-1-3-5-10/h1-7H,8-9,13H2,(H,14,16)
InChIKeyQNBQKYZTJKTKRH-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.55
Rot. Bonds4

About 4-(aminomethyl)-N-benzylpyridazin-3-amine

4-(aminomethyl)-N-benzylpyridazin-3-amine (PubChem CID 14042752) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(aminomethyl)-N-benzylpyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-benzylpyridazin-3-amine
PubChem CID14042752
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-(aminomethyl)-N-benzylpyridazin-3-amine
SMILESNCc1ccnnc1NCc1ccccc1
InChIInChI=1S/C12H14N4/c13-8-11-6-7-15-16-12(11)14-9-10-4-2-1-3-5-10/h1-7H,8-9,13H2,(H,14,16)
InChIKeyQNBQKYZTJKTKRH-UHFFFAOYSA-N
XLogP1.55
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 80508850
(3-phenoxypyridazin-4-yl)methanamine
CID 80507739
N-benzyl-1,2,4,5-tetrazin-3-amine
CID 66725267
3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517663
N'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine
CID 6410655
4-(aminomethyl)-N-methyl-N-(3-phenylpropyl)pyridazin-3-amine
CID 80507508
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine
CID 54936217
N-benzyl-3-bromopyridin-2-amine
CID 11708714
3-[(4-chlorophenyl)methylamino]pyridazine-4-carbothioamide
CID 80512063
3-[(2-bromophenyl)methylamino]pyridazine-4-carbonitrile
CID 80510383
4-[[(4-cyanopyridazin-3-yl)amino]methyl]benzoic acid
CID 80507966

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-benzylpyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-benzylpyridazin-3-amine (CID 14042752) is 4-(aminomethyl)-N-benzylpyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-benzylpyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-benzylpyridazin-3-amine is NCc1ccnnc1NCc1ccccc1.
What is the InChIKey of 4-(aminomethyl)-N-benzylpyridazin-3-amine?
The InChIKey is QNBQKYZTJKTKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-8-11-6-7-15-16-12(11)14-9-10-4-2-1-3-5-10/h1-7H,8-9,13H2,(H,14,16).
What are the key properties of 4-(aminomethyl)-N-benzylpyridazin-3-amine?
4-(aminomethyl)-N-benzylpyridazin-3-amine has a molecular weight of 214.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-benzylpyridazin-3-amine is sourced from PubChem (CID 14042752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).