(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine

C9H16N4O — CID 83967046

IUPAC(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine
SMILESCCOC1CCCn2nc(CN)nc21
InChIInChI=1S/C9H16N4O/c1-2-14-7-4-3-5-13-9(7)11-8(6-10)12-13/h7H,2-6,10H2,1H3
InChIKeyIAKLHTBUVWLIST-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.61
Rot. Bonds3

About (8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine

(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine (PubChem CID 83967046) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine.

Molecular Properties

Compound Name(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine
PubChem CID83967046
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine
SMILESCCOC1CCCn2nc(CN)nc21
InChIInChI=1S/C9H16N4O/c1-2-14-7-4-3-5-13-9(7)11-8(6-10)12-13/h7H,2-6,10H2,1H3
InChIKeyIAKLHTBUVWLIST-UHFFFAOYSA-N
XLogP0.61
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
CID 83965265
3-(8-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-amine
CID 83966839
1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine
CID 112711432
6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-ylmethanamine
CID 82593959
7-ethoxy-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 76527840
3-ethoxy-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2-oxazole-5-carboxamide
CID 126814542
3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)cyclohexane-1-carboxamide
CID 119900248
3-ethyl-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine
CID 97055693
2-methylpropyl 4-[[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]piperidine-1-carboxylate
CID 99851631
8-methyl-2-(thian-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157749
8-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157737
2-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 117157732

Frequently Asked Questions

What is the IUPAC name of (8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine?
The IUPAC name of (8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine (CID 83967046) is (8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine.
What is the SMILES notation for (8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine?
The canonical SMILES for (8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine is CCOC1CCCn2nc(CN)nc21.
What is the InChIKey of (8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine?
The InChIKey is IAKLHTBUVWLIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-14-7-4-3-5-13-9(7)11-8(6-10)12-13/h7H,2-6,10H2,1H3.
What are the key properties of (8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine?
(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine has a molecular weight of 196.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methanamine is sourced from PubChem (CID 83967046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).