1-(7-methyltridecan-7-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

C20H37N3 — CID 146599995

IUPAC1-(7-methyltridecan-7-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
SMILESCCCCCCC(C)(CCCCCC)c1ncn2c1CNCC2
InChIInChI=1S/C20H37N3/c1-4-6-8-10-12-20(3,13-11-9-7-5-2)19-18-16-21-14-15-23(18)17-22-19/h17,21H,4-16H2,1-3H3
InChIKeyXRUXWBVLXWJOKD-UHFFFAOYSA-N
MW319.54 g/mol
LogP5.18
Rot. Bonds11

About 1-(7-methyltridecan-7-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

1-(7-methyltridecan-7-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine (PubChem CID 146599995) has the molecular formula C20H37N3 and a molecular weight of 319.54 g/mol. Its IUPAC name is 1-(7-methyltridecan-7-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-(7-methyltridecan-7-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
PubChem CID146599995
Molecular FormulaC20H37N3
Molecular Weight319.54 g/mol
Exact Mass319.30
IUPAC Name1-(7-methyltridecan-7-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
SMILESCCCCCCC(C)(CCCCCC)c1ncn2c1CNCC2
InChIInChI=1S/C20H37N3/c1-4-6-8-10-12-20(3,13-11-9-7-5-2)19-18-16-21-14-15-23(18)17-22-19/h17,21H,4-16H2,1-3H3
InChIKeyXRUXWBVLXWJOKD-UHFFFAOYSA-N
XLogP5.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.54
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyltridecan-7-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The IUPAC name of 1-(7-methyltridecan-7-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine (CID 146599995) is 1-(7-methyltridecan-7-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-(7-methyltridecan-7-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The canonical SMILES for 1-(7-methyltridecan-7-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine is CCCCCCC(C)(CCCCCC)c1ncn2c1CNCC2.
What is the InChIKey of 1-(7-methyltridecan-7-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
The InChIKey is XRUXWBVLXWJOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3/c1-4-6-8-10-12-20(3,13-11-9-7-5-2)19-18-16-21-14-15-23(18)17-22-19/h17,21H,4-16H2,1-3H3.
What are the key properties of 1-(7-methyltridecan-7-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine?
1-(7-methyltridecan-7-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine has a molecular weight of 319.54 g/mol, XLogP of 5.18, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyltridecan-7-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine is sourced from PubChem (CID 146599995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).