1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile

C18H20N6 — CID 70958584

IUPAC1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile
SMILESCNCCCc1ccc(-c2cc3c(nnn3C)c(C#N)n2)cc1C
InChIInChI=1S/C18H20N6/c1-12-9-14(7-6-13(12)5-4-8-20-2)15-10-17-18(16(11-19)21-15)22-23-24(17)3/h6-7,9-10,20H,4-5,8H2,1-3H3
InChIKeyQYWCDHNGOBGBPM-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.36
Rot. Bonds5

About 1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile

1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile (PubChem CID 70958584) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile
PubChem CID70958584
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile
SMILESCNCCCc1ccc(-c2cc3c(nnn3C)c(C#N)n2)cc1C
InChIInChI=1S/C18H20N6/c1-12-9-14(7-6-13(12)5-4-8-20-2)15-10-17-18(16(11-19)21-15)22-23-24(17)3/h6-7,9-10,20H,4-5,8H2,1-3H3
InChIKeyQYWCDHNGOBGBPM-UHFFFAOYSA-N
XLogP2.36
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile (CID 70958584) is 1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile is CNCCCc1ccc(-c2cc3c(nnn3C)c(C#N)n2)cc1C.
What is the InChIKey of 1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is QYWCDHNGOBGBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-12-9-14(7-6-13(12)5-4-8-20-2)15-10-17-18(16(11-19)21-15)22-23-24(17)3/h6-7,9-10,20H,4-5,8H2,1-3H3.
What are the key properties of 1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile?
1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 320.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[3-methyl-4-[3-(methylamino)propyl]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 70958584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).