3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine

C11H16N6 — CID 113424266

IUPAC3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine
SMILESCNc1cncc(NCCCn2ccnn2)c1
InChIInChI=1S/C11H16N6/c1-12-10-7-11(9-13-8-10)14-3-2-5-17-6-4-15-16-17/h4,6-9,12,14H,2-3,5H2,1H3
InChIKeyBGVABYNAACRQAA-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.22
Rot. Bonds6

About 3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine

3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine (PubChem CID 113424266) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine
PubChem CID113424266
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine
SMILESCNc1cncc(NCCCn2ccnn2)c1
InChIInChI=1S/C11H16N6/c1-12-10-7-11(9-13-8-10)14-3-2-5-17-6-4-15-16-17/h4,6-9,12,14H,2-3,5H2,1H3
InChIKeyBGVABYNAACRQAA-UHFFFAOYSA-N
XLogP1.22
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-N-methyl-5-N-[2-(triazol-1-yl)ethyl]pyridine-3,5-diamine
CID 104535868
4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
CID 106846876
3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
CID 104533920
2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104532515
3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine
CID 104777254
5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
CID 106138149
3-N-methyl-5-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3,5-diamine
CID 104532661
3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
CID 104533155
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine
CID 113423751
2-amino-4-[3-(triazol-1-yl)propylamino]benzoic acid
CID 104500898
6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine
CID 113412986

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine?
The IUPAC name of 3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine (CID 113424266) is 3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine.
What is the SMILES notation for 3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine?
The canonical SMILES for 3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine is CNc1cncc(NCCCn2ccnn2)c1.
What is the InChIKey of 3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine?
The InChIKey is BGVABYNAACRQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-12-10-7-11(9-13-8-10)14-3-2-5-17-6-4-15-16-17/h4,6-9,12,14H,2-3,5H2,1H3.
What are the key properties of 3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine?
3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine is sourced from PubChem (CID 113424266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).