1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine

C12H22N4O — CID 110210749

IUPAC1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
SMILESCCC(COC)NCC1=NN=C2N1CCCC2
InChIInChI=1S/C12H22N4O/c1-3-10(9-17-2)13-8-12-15-14-11-6-4-5-7-16(11)12/h10,13H,3-9H2,1-2H3
InChIKeyBMPGWWFDZJIXEB-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.40
Rot. Bonds6

About 1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine

1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine (PubChem CID 110210749) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
PubChem CID110210749
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
SMILESCCC(COC)NCC1=NN=C2N1CCCC2
InChIInChI=1S/C12H22N4O/c1-3-10(9-17-2)13-8-12-15-14-11-6-4-5-7-16(11)12/h10,13H,3-9H2,1-2H3
InChIKeyBMPGWWFDZJIXEB-UHFFFAOYSA-N
XLogP0.40
TPSA52.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity227

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine with MolForge

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Related Compounds

3-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-amine
CID 50986550
3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 50987769
3-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 50987852
1-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethan-1-amine
CID 71695363
3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 71755432
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 50953849
3-(methoxymethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 57416366
2-(methoxymethyl)-5H,6H,7H,8H-(1,2,4)triazolo(1,5-a)pyridin-6-amine
CID 71755965
(1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine
CID 96850208
(2S)-2-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}pyrrolidine dihydrochloride
CID 155973468
(2R)-2-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}pyrrolidine dihydrochloride
CID 155973738
4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284476

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine?
The IUPAC name of 1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine (CID 110210749) is 1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine.
What is the SMILES notation for 1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine?
The canonical SMILES for 1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine is CCC(COC)NCC1=NN=C2N1CCCC2.
What is the InChIKey of 1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine?
The InChIKey is BMPGWWFDZJIXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-10(9-17-2)13-8-12-15-14-11-6-4-5-7-16(11)12/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine?
1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine has a molecular weight of 238.33 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 110210749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).