1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol

C11H17N5O — CID 113430486

IUPAC1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol
SMILESCC(O)CNCCNc1nc2ccccn2n1
InChIInChI=1S/C11H17N5O/c1-9(17)8-12-5-6-13-11-14-10-4-2-3-7-16(10)15-11/h2-4,7,9,12,17H,5-6,8H2,1H3,(H,13,15)
InChIKeyBSAMGLVEVWWNAT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.11
Rot. Bonds6

About 1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol

1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol (PubChem CID 113430486) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol
PubChem CID113430486
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol
SMILESCC(O)CNCCNc1nc2ccccn2n1
InChIInChI=1S/C11H17N5O/c1-9(17)8-12-5-6-13-11-14-10-4-2-3-7-16(10)15-11/h2-4,7,9,12,17H,5-6,8H2,1H3,(H,13,15)
InChIKeyBSAMGLVEVWWNAT-UHFFFAOYSA-N
XLogP0.11
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114468905
5-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)pentanamide
CID 106239011
1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol
CID 104594461
4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol
CID 114332619
2,3-dimethyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)butan-2-ol
CID 114156351
2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol
CID 102677502
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114128046
1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol
CID 104594186
1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol
CID 104594292
N-[3-(triazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 113412975
5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pentan-2-ol
CID 114148456
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107095635

Frequently Asked Questions

What is the IUPAC name of 1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol?
The IUPAC name of 1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol (CID 113430486) is 1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol is CC(O)CNCCNc1nc2ccccn2n1.
What is the InChIKey of 1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol?
The InChIKey is BSAMGLVEVWWNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-9(17)8-12-5-6-13-11-14-10-4-2-3-7-16(10)15-11/h2-4,7,9,12,17H,5-6,8H2,1H3,(H,13,15).
What are the key properties of 1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol?
1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol has a molecular weight of 235.29 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)ethylamino]propan-2-ol is sourced from PubChem (CID 113430486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).