N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H16N4O — CID 114468905

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC=C(C)COCCNc1nc2ccccn2n1
InChIInChI=1S/C12H16N4O/c1-10(2)9-17-8-6-13-12-14-11-5-3-4-7-16(11)15-12/h3-5,7H,1,6,8-9H2,2H3,(H,13,15)
InChIKeyYIQNUSADESPFQV-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.73
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 114468905) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID114468905
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC=C(C)COCCNc1nc2ccccn2n1
InChIInChI=1S/C12H16N4O/c1-10(2)9-17-8-6-13-12-14-11-5-3-4-7-16(11)15-12/h3-5,7H,1,6,8-9H2,2H3,(H,13,15)
InChIKeyYIQNUSADESPFQV-UHFFFAOYSA-N
XLogP1.73
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol
CID 113430486
4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol
CID 114332619
5-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)pentanamide
CID 106239011
2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol
CID 102677502
3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine
CID 115698562
2,3-dimethyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)butan-2-ol
CID 114156351
3-methoxy-2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-1-ol
CID 106192593
N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
CID 115698242
6-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine
CID 103768547
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-benzimidazol-2-amine
CID 113341943
N-[2-(2-methylprop-2-enoxy)ethyl]-9H-fluoren-9-amine
CID 115977822
N-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 113412975

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 114468905) is N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is C=C(C)COCCNc1nc2ccccn2n1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is YIQNUSADESPFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-10(2)9-17-8-6-13-12-14-11-5-3-4-7-16(11)15-12/h3-5,7H,1,6,8-9H2,2H3,(H,13,15).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 232.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 114468905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).