4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine

C13H16N4 — CID 106750778

IUPAC4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine
SMILESCc1ccc(CNc2ccc(N)c(N)c2)cn1
InChIInChI=1S/C13H16N4/c1-9-2-3-10(7-16-9)8-17-11-4-5-12(14)13(15)6-11/h2-7,17H,8,14-15H2,1H3
InChIKeyQTGYJXSVUTUVPZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.17
Rot. Bonds3

About 4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine

4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine (PubChem CID 106750778) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine
PubChem CID106750778
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine
SMILESCc1ccc(CNc2ccc(N)c(N)c2)cn1
InChIInChI=1S/C13H16N4/c1-9-2-3-10(7-16-9)8-17-11-4-5-12(14)13(15)6-11/h2-7,17H,8,14-15H2,1H3
InChIKeyQTGYJXSVUTUVPZ-UHFFFAOYSA-N
XLogP2.17
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 62989638
N-[(6-methyl-3-pyridinyl)methyl]quinoxalin-6-amine
CID 104821970
N-[(3,5-dimethylphenyl)methyl]-6-methylpyridin-3-amine
CID 81497641
N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline
CID 104821896
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749224
N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749173
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbothioamide
CID 115488572
N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 104821897
4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine
CID 79918373
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839878
2-chloro-5-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,4-diamine
CID 113334324

Frequently Asked Questions

What is the IUPAC name of 4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine?
The IUPAC name of 4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine (CID 106750778) is 4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine?
The canonical SMILES for 4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine is Cc1ccc(CNc2ccc(N)c(N)c2)cn1.
What is the InChIKey of 4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine?
The InChIKey is QTGYJXSVUTUVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-2-3-10(7-16-9)8-17-11-4-5-12(14)13(15)6-11/h2-7,17H,8,14-15H2,1H3.
What are the key properties of 4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine?
4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine has a molecular weight of 228.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine is sourced from PubChem (CID 106750778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).