4-methoxy-1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine

C12H18N4O — CID 81078648

IUPAC4-methoxy-1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
SMILESCOCCCC(N)c1nnc2cc(C)ccn12
InChIInChI=1S/C12H18N4O/c1-9-5-6-16-11(8-9)14-15-12(16)10(13)4-3-7-17-2/h5-6,8,10H,3-4,7,13H2,1-2H3
InChIKeyDQXSOFLAKMVMAV-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.46
Rot. Bonds5

About 4-methoxy-1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine

4-methoxy-1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine (PubChem CID 81078648) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-methoxy-1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
PubChem CID81078648
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-methoxy-1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
SMILESCOCCCC(N)c1nnc2cc(C)ccn12
InChIInChI=1S/C12H18N4O/c1-9-5-6-16-11(8-9)14-15-12(16)10(13)4-3-7-17-2/h5-6,8,10H,3-4,7,13H2,1-2H3
InChIKeyDQXSOFLAKMVMAV-UHFFFAOYSA-N
XLogP1.46
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methoxy-1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-methoxy-1-pyridin-4-ylbutan-1-amine
CID 115601661
(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 55266770
(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 51880743
1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine
CID 81082373
1-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-amine
CID 82029094
2-(3-methoxypropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117133412
3-methyl-1-(7-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine
CID 82029101
4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine
CID 105054856
4-methoxy-1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354523
1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine
CID 130374225
3-amino-3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 83841113
1-(4-chlorophenyl)-4-methoxybutan-1-amine
CID 62607559

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine?
The IUPAC name of 4-methoxy-1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine (CID 81078648) is 4-methoxy-1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine is COCCCC(N)c1nnc2cc(C)ccn12.
What is the InChIKey of 4-methoxy-1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine?
The InChIKey is DQXSOFLAKMVMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-5-6-16-11(8-9)14-15-12(16)10(13)4-3-7-17-2/h5-6,8,10H,3-4,7,13H2,1-2H3.
What are the key properties of 4-methoxy-1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine?
4-methoxy-1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine has a molecular weight of 234.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine is sourced from PubChem (CID 81078648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).