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

C11H19N5O — CID 64576081

IUPAC[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxan-4-yl]methanamine
SMILESNCC1(N2CCn3cnnc3C2)CCOCC1
InChIInChI=1S/C11H19N5O/c12-8-11(1-5-17-6-2-11)16-4-3-15-9-13-14-10(15)7-16/h9H,1-8,12H2
InChIKeyOXSDWFGVABVNMJ-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.40
Rot. Bonds2

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

[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxan-4-yl]methanamine (PubChem CID 64576081) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxan-4-yl]methanamine
PubChem CID64576081
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxan-4-yl]methanamine
SMILESNCC1(N2CCn3cnnc3C2)CCOCC1
InChIInChI=1S/C11H19N5O/c12-8-11(1-5-17-6-2-11)16-4-3-15-9-13-14-10(15)7-16/h9H,1-8,12H2
InChIKeyOXSDWFGVABVNMJ-UHFFFAOYSA-N
XLogP-0.40
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxan-4-yl]methanamine?
The IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxan-4-yl]methanamine (CID 64576081) is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxan-4-yl]methanamine is NCC1(N2CCn3cnnc3C2)CCOCC1.
What is the InChIKey of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxan-4-yl]methanamine?
The InChIKey is OXSDWFGVABVNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-8-11(1-5-17-6-2-11)16-4-3-15-9-13-14-10(15)7-16/h9H,1-8,12H2.
What are the key properties of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxan-4-yl]methanamine?
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxan-4-yl]methanamine has a molecular weight of 237.31 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 64576081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).