1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine

C13H23N5O — CID 64577886

IUPAC1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine
SMILESCNCC1(CN2CCn3cnnc3C2)CCCOC1
InChIInChI=1S/C13H23N5O/c1-14-8-13(3-2-6-19-10-13)9-17-4-5-18-11-15-16-12(18)7-17/h11,14H,2-10H2,1H3
InChIKeyQAOTVCPSYHXVHH-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.11
Rot. Bonds4

About 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine

1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine (PubChem CID 64577886) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine
PubChem CID64577886
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine
SMILESCNCC1(CN2CCn3cnnc3C2)CCCOC1
InChIInChI=1S/C13H23N5O/c1-14-8-13(3-2-6-19-10-13)9-17-4-5-18-11-15-16-12(18)7-17/h11,14H,2-10H2,1H3
InChIKeyQAOTVCPSYHXVHH-UHFFFAOYSA-N
XLogP0.11
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine (CID 64577886) is 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine is CNCC1(CN2CCn3cnnc3C2)CCCOC1.
What is the InChIKey of 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine?
The InChIKey is QAOTVCPSYHXVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-14-8-13(3-2-6-19-10-13)9-17-4-5-18-11-15-16-12(18)7-17/h11,14H,2-10H2,1H3.
What are the key properties of 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine?
1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine has a molecular weight of 265.36 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 64577886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).