6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C14H22N4O — CID 106012435

IUPAC6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccc2nc(NCCCCOC(C)C)nn2c1
InChIInChI=1S/C14H22N4O/c1-11(2)19-9-5-4-8-15-14-16-13-7-6-12(3)10-18(13)17-14/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyDIKZMXBCIWFFFJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.65
Rot. Bonds7

About 6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 106012435) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID106012435
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccc2nc(NCCCCOC(C)C)nn2c1
InChIInChI=1S/C14H22N4O/c1-11(2)19-9-5-4-8-15-14-16-13-7-6-12(3)10-18(13)17-14/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyDIKZMXBCIWFFFJ-UHFFFAOYSA-N
XLogP2.65
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-(2-propan-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 113450398
N-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107850992
3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]butan-1-ol
CID 83187344
5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pentan-2-ol
CID 114148456
N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]propan-2-amine
CID 116989583
4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 106012404
5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol
CID 114152105
[1-[[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]cyclopropyl]methanol
CID 113313323
5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 104844363
6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol
CID 107850356
4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 114136517
N-(4-propan-2-yloxybutyl)quinazolin-2-amine
CID 106012372

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 106012435) is 6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1ccc2nc(NCCCCOC(C)C)nn2c1.
What is the InChIKey of 6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is DIKZMXBCIWFFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11(2)19-9-5-4-8-15-14-16-13-7-6-12(3)10-18(13)17-14/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,17).
What are the key properties of 6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 262.36 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-propan-2-yloxybutyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 106012435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).