[4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol

C11H17N3O2 — CID 106297102

IUPAC[4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol
SMILESOCC1(NCc2cnccn2)CCOCC1
InChIInChI=1S/C11H17N3O2/c15-9-11(1-5-16-6-2-11)14-8-10-7-12-3-4-13-10/h3-4,7,14-15H,1-2,5-6,8-9H2
InChIKeyUBVYHQPDPOYFRH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.11
Rot. Bonds4

About [4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol

[4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol (PubChem CID 106297102) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is [4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol
PubChem CID106297102
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name[4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol
SMILESOCC1(NCc2cnccn2)CCOCC1
InChIInChI=1S/C11H17N3O2/c15-9-11(1-5-16-6-2-11)14-8-10-7-12-3-4-13-10/h3-4,7,14-15H,1-2,5-6,8-9H2
InChIKeyUBVYHQPDPOYFRH-UHFFFAOYSA-N
XLogP0.11
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-[[(1,3-Dihydroxy-2-methylpropan-2-yl)amino]methyl]pyrazin-2-yl]methylamino]-2-methylpropane-1,3-diol
CID 17907802
2-[[6-[[(1,3-Dihydroxy-2-methylpropan-2-yl)amino]methyl]pyrazin-2-yl]methylamino]-2-methylpropane-1,3-diol
CID 17907819
2-[[6-[[[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyrazin-2-yl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 22457943
2-[[5-[[[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyrazin-2-yl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 22457997
N-[[5-(aminomethyl)pyrazin-2-yl]methyl]oxan-4-amine
CID 130411703
2-Methyl-2-(pyrazin-2-ylmethylamino)propan-1-ol
CID 62761265
1-(oxan-3-yl)-N-(pyrazin-2-ylmethyl)methanamine
CID 62761669
N-(pyrazin-2-ylmethyl)oxan-4-amine
CID 62762685
2-(3-methylbutoxy)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762907
[1-(Pyrazin-2-ylmethylamino)cyclopentyl]methanol
CID 62762921
2-Ethyl-2-(pyrazin-2-ylmethylamino)butan-1-ol
CID 62762922
[1-(Pyrazin-2-ylmethylamino)cyclohexyl]methanol
CID 62762923

Frequently Asked Questions

What is the IUPAC name of [4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol (CID 106297102) is [4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol is OCC1(NCc2cnccn2)CCOCC1.
What is the InChIKey of [4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol?
The InChIKey is UBVYHQPDPOYFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-9-11(1-5-16-6-2-11)14-8-10-7-12-3-4-13-10/h3-4,7,14-15H,1-2,5-6,8-9H2.
What are the key properties of [4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol?
[4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol has a molecular weight of 223.28 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrazin-2-ylmethylamino)oxan-4-yl]methanol is sourced from PubChem (CID 106297102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).