5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine

C12H20N4 — CID 103056511

IUPAC5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine
SMILESCC1CCCCCN1Cc1cnc(N)cn1
InChIInChI=1S/C12H20N4/c1-10-5-3-2-4-6-16(10)9-11-7-15-12(13)8-14-11/h7-8,10H,2-6,9H2,1H3,(H2,13,15)
InChIKeyXSGKFYMBXNHQLL-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.82
Rot. Bonds2

About 5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine

5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine (PubChem CID 103056511) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine
PubChem CID103056511
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine
SMILESCC1CCCCCN1Cc1cnc(N)cn1
InChIInChI=1S/C12H20N4/c1-10-5-3-2-4-6-16(10)9-11-7-15-12(13)8-14-11/h7-8,10H,2-6,9H2,1H3,(H2,13,15)
InChIKeyXSGKFYMBXNHQLL-UHFFFAOYSA-N
XLogP1.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine?
The IUPAC name of 5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine (CID 103056511) is 5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine is CC1CCCCCN1Cc1cnc(N)cn1.
What is the InChIKey of 5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine?
The InChIKey is XSGKFYMBXNHQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-5-3-2-4-6-16(10)9-11-7-15-12(13)8-14-11/h7-8,10H,2-6,9H2,1H3,(H2,13,15).
What are the key properties of 5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine?
5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 103056511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).