1,7-ditert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C14H25N3 — CID 59483793

IUPAC1,7-ditert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCC(C)(C)c1ncn2c1CN(C(C)(C)C)CC2
InChIInChI=1S/C14H25N3/c1-13(2,3)12-11-9-17(14(4,5)6)8-7-16(11)10-15-12/h10H,7-9H2,1-6H3
InChIKeyHSXIYQSSMGICGO-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.79
Rot. Bonds

About 1,7-ditert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

1,7-ditert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 59483793) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1,7-ditert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1,7-ditert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID59483793
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1,7-ditert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCC(C)(C)c1ncn2c1CN(C(C)(C)C)CC2
InChIInChI=1S/C14H25N3/c1-13(2,3)12-11-9-17(14(4,5)6)8-7-16(11)10-15-12/h10H,7-9H2,1-6H3
InChIKeyHSXIYQSSMGICGO-UHFFFAOYSA-N
XLogP2.79
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-1-(cyclopropylmethyl)-5-pentyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 45272906
1-(cyclopropylmethyl)-2-neopentyl-5-pentyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 45267778
2-Ethyl-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 9920468
3-Ethyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 9942237
1-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
CID 929096
3-methyl-3H,4H,5H,6H,7H-imidazo(4,5-c)pyridine dihydrochloride
CID 75537372
1-methyl-1H,4H,5H,6H,7H-imidazo(4,5-c)pyridine dihydrochloride
CID 13150255
1-cyclopropyl-1H,4H,5H,6H,7H-imidazo(4,5-c)pyridine
CID 47002848
1-methyl-2-(propan-2-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
CID 54592646
1-cyclobutyl-1H,4H,5H,6H,7H-imidazo(4,5-c)pyridine
CID 64854182
3-Methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-C]pyridine
CID 21330745
1-ethyl-7-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 121405546

Frequently Asked Questions

What is the IUPAC name of 1,7-ditert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 1,7-ditert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 59483793) is 1,7-ditert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 1,7-ditert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 1,7-ditert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is CC(C)(C)c1ncn2c1CN(C(C)(C)C)CC2.
What is the InChIKey of 1,7-ditert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is HSXIYQSSMGICGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-13(2,3)12-11-9-17(14(4,5)6)8-7-16(11)10-15-12/h10H,7-9H2,1-6H3.
What are the key properties of 1,7-ditert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
1,7-ditert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 235.37 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-ditert-butyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 59483793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).