5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine

C10H16N4O — CID 103056325

IUPAC5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine
SMILESNc1cnc(CN2CCCOCC2)cn1
InChIInChI=1S/C10H16N4O/c11-10-7-12-9(6-13-10)8-14-2-1-4-15-5-3-14/h6-7H,1-5,8H2,(H2,11,13)
InChIKeyNJZPBAKHQWDAIQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.28
Rot. Bonds2

About 5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine

5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine (PubChem CID 103056325) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine
PubChem CID103056325
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine
SMILESNc1cnc(CN2CCCOCC2)cn1
InChIInChI=1S/C10H16N4O/c11-10-7-12-9(6-13-10)8-14-2-1-4-15-5-3-14/h6-7H,1-5,8H2,(H2,11,13)
InChIKeyNJZPBAKHQWDAIQ-UHFFFAOYSA-N
XLogP0.28
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane
CID 103054257
5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine
CID 103056205
5-(piperazin-1-ylmethyl)pyrazin-2-amine
CID 117213222
5-[(4-ethylpiperazin-1-yl)methyl]pyrazin-2-amine
CID 103055404
4-[(5-tert-butylpyrazin-2-yl)methyl]morpholine
CID 164775880
4-(1,4-oxazepan-4-ylmethyl)aniline
CID 62988786
1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-3-morpholin-4-ylpropan-1-one
CID 124997503
[3-(1,4-oxazepan-4-ylmethyl)-1-benzothiophen-2-yl]methanamine
CID 55141926
5-[[4-(methoxymethyl)piperidin-1-yl]methyl]pyrazin-2-amine
CID 103056498
5-[(3-ethoxypiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056225
[6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine
CID 79231202
2-[1-[(5-aminopyrazin-2-yl)methyl]piperidin-4-yl]oxyethanol
CID 103056754

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine?
The IUPAC name of 5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine (CID 103056325) is 5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine is Nc1cnc(CN2CCCOCC2)cn1.
What is the InChIKey of 5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine?
The InChIKey is NJZPBAKHQWDAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-10-7-12-9(6-13-10)8-14-2-1-4-15-5-3-14/h6-7H,1-5,8H2,(H2,11,13).
What are the key properties of 5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine?
5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine has a molecular weight of 208.26 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 103056325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).