[3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

C13H22N4O — CID 105392207

IUPAC[3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESNCC1CCc2nnc(CCC3CCCO3)n2C1
InChIInChI=1S/C13H22N4O/c14-8-10-3-5-12-15-16-13(17(12)9-10)6-4-11-2-1-7-18-11/h10-11H,1-9,14H2
InChIKeyZRXCYPGWBVEDIB-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.91
Rot. Bonds4

About [3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

[3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (PubChem CID 105392207) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
PubChem CID105392207
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESNCC1CCc2nnc(CCC3CCCO3)n2C1
InChIInChI=1S/C13H22N4O/c14-8-10-3-5-12-15-16-13(17(12)9-10)6-4-11-2-1-7-18-11/h10-11H,1-9,14H2
InChIKeyZRXCYPGWBVEDIB-UHFFFAOYSA-N
XLogP0.91
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
CID 105392067
[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 65159736
3-[(2R)-oxolan-2-yl]-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]propanamide
CID 94097736
3-[(2S)-oxolan-2-yl]-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]propanamide
CID 94097735
[3-(1,2,4-triazol-1-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 114040624
3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117150062
3-(bromomethyl)-4-ethyl-5-[2-(oxan-2-yl)ethyl]-1,2,4-triazole
CID 115399581
(3-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 105392259
[3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392089
4-amino-3-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-thione
CID 63952162
[(2R)-oxolan-2-yl]methanamine
CID 2734124
N-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95329750

Frequently Asked Questions

What is the IUPAC name of [3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The IUPAC name of [3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (CID 105392207) is [3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The canonical SMILES for [3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is NCC1CCc2nnc(CCC3CCCO3)n2C1.
What is the InChIKey of [3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The InChIKey is ZRXCYPGWBVEDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c14-8-10-3-5-12-15-16-13(17(12)9-10)6-4-11-2-1-7-18-11/h10-11H,1-9,14H2.
What are the key properties of [3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
[3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine has a molecular weight of 250.35 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(oxolan-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 105392207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).