N-hex-5-ynyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H16N4 — CID 106214508

IUPACN-hex-5-ynyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC#CCCCCNc1nc2c(C)cccn2n1
InChIInChI=1S/C13H16N4/c1-3-4-5-6-9-14-13-15-12-11(2)8-7-10-17(12)16-13/h1,7-8,10H,4-6,9H2,2H3,(H,14,16)
InChIKeyHZLQXLYRWULZDK-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.25
Rot. Bonds5

About N-hex-5-ynyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-hex-5-ynyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 106214508) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-hex-5-ynyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-hex-5-ynyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID106214508
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-hex-5-ynyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC#CCCCCNc1nc2c(C)cccn2n1
InChIInChI=1S/C13H16N4/c1-3-4-5-6-9-14-13-15-12-11(2)8-7-10-17(12)16-13/h1,7-8,10H,4-6,9H2,2H3,(H,14,16)
InChIKeyHZLQXLYRWULZDK-UHFFFAOYSA-N
XLogP2.25
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114184520
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106374088
8-methyl-N-[(2-methylcyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107419336
N-methyl-1-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine
CID 83866288
8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile
CID 116989824
5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine
CID 106544659
2-(hex-5-ynylamino)-3-methylbenzonitrile
CID 106213521
8-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106418462
4-N-hex-5-ynylpyridine-3,4-diamine
CID 106215733
N-hex-5-ynylaniline
CID 166956597
2-(hex-5-ynylamino)-N-(2-methylphenyl)acetamide
CID 106211416
2-methoxy-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 116989886

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-hex-5-ynyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 106214508) is N-hex-5-ynyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-hex-5-ynyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-hex-5-ynyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is C#CCCCCNc1nc2c(C)cccn2n1.
What is the InChIKey of N-hex-5-ynyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is HZLQXLYRWULZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-4-5-6-9-14-13-15-12-11(2)8-7-10-17(12)16-13/h1,7-8,10H,4-6,9H2,2H3,(H,14,16).
What are the key properties of N-hex-5-ynyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-hex-5-ynyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 228.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 106214508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).