[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol

C14H23N3O — CID 66467076

IUPAC[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol
SMILESCC(C)C1CCCN(c2cncc(CO)n2)CC1
InChIInChI=1S/C14H23N3O/c1-11(2)12-4-3-6-17(7-5-12)14-9-15-8-13(10-18)16-14/h8-9,11-12,18H,3-7,10H2,1-2H3
InChIKeyYXNVZBPQDCFVFR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.23
Rot. Bonds3

About [6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol

[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol (PubChem CID 66467076) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol
PubChem CID66467076
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol
SMILESCC(C)C1CCCN(c2cncc(CO)n2)CC1
InChIInChI=1S/C14H23N3O/c1-11(2)12-4-3-6-17(7-5-12)14-9-15-8-13(10-18)16-14/h8-9,11-12,18H,3-7,10H2,1-2H3
InChIKeyYXNVZBPQDCFVFR-UHFFFAOYSA-N
XLogP2.23
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol?
The IUPAC name of [6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol (CID 66467076) is [6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol.
What is the SMILES notation for [6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol?
The canonical SMILES for [6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol is CC(C)C1CCCN(c2cncc(CO)n2)CC1.
What is the InChIKey of [6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol?
The InChIKey is YXNVZBPQDCFVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)12-4-3-6-17(7-5-12)14-9-15-8-13(10-18)16-14/h8-9,11-12,18H,3-7,10H2,1-2H3.
What are the key properties of [6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol?
[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol has a molecular weight of 249.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol is sourced from PubChem (CID 66467076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).