3,4,10,10a-tetrahydrochrysene;1,2-dihydropyrazine

C22H22N2 — CID 175245625

IUPAC3,4,10,10a-tetrahydrochrysene;1,2-dihydropyrazine
SMILESC1=CCC2C(=C1)C=Cc1c2ccc2c1CCC=C2.C1=CNCC=N1
InChIInChI=1S/C18H16.C4H6N2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-6-4-3-5-1/h1-3,5-6,9-12,15H,4,7-8H2;1-3,6H,4H2
InChIKeyWNSJYTCJNSIBKP-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.77
Rot. Bonds

About 3,4,10,10a-tetrahydrochrysene;1,2-dihydropyrazine

3,4,10,10a-tetrahydrochrysene;1,2-dihydropyrazine (PubChem CID 175245625) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3,4,10,10a-tetrahydrochrysene;1,2-dihydropyrazine.

Molecular Properties

Compound Name3,4,10,10a-tetrahydrochrysene;1,2-dihydropyrazine
PubChem CID175245625
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Name3,4,10,10a-tetrahydrochrysene;1,2-dihydropyrazine
SMILESC1=CCC2C(=C1)C=Cc1c2ccc2c1CCC=C2.C1=CNCC=N1
InChIInChI=1S/C18H16.C4H6N2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-6-4-3-5-1/h1-3,5-6,9-12,15H,4,7-8H2;1-3,6H,4H2
InChIKeyWNSJYTCJNSIBKP-UHFFFAOYSA-N
XLogP4.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dihydropyrazine;ethane
CID 145181649
1-bromo-4-ethyl-3,4,10,10a-tetrahydrochrysene
CID 174429973
12-(1,7,8,8a-tetrahydronaphthalen-1-yl)-6-(7,8-dihydronaphthalen-1-yl)-3-[6-(3,4,7,8-tetrahydronaphthalen-2-yl)-7,8-dihydronaphthalen-2-yl]-1,2,10,10a-tetrahydrochrysene
CID 91058968
4-methyl-3,4,5,6-tetrahydrophenanthrene
CID 123289804
11-(10-cyclohexa-1,3-dien-1-yl-2,3-dihydroanthracen-9-yl)-1,12b-dihydrobenzo[a]anthracene
CID 123829528
8,8a-dihydronaphthalen-1-ol
CID 148551403
9-fluoro-6-[2-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydrochrysene
CID 174639640
2-propan-2-yl-7,8-dihydroquinoline
CID 89161554
7-(1,9,10,12b-tetrahydrobenzo[a]anthracen-8-yl)-3-(3,4-dihydrobenzo[a]anthracen-11-yl)-1,2-dihydrodibenzofuran
CID 88977328
10,10a-dihydrobenzo[b][1]benzothiepine
CID 70380636
N-methyl-7,8-dihydronaphthalen-1-amine
CID 145048997
1,8-dihydro-as-indacene
CID 11030043

Frequently Asked Questions

What is the IUPAC name of 3,4,10,10a-tetrahydrochrysene;1,2-dihydropyrazine?
The IUPAC name of 3,4,10,10a-tetrahydrochrysene;1,2-dihydropyrazine (CID 175245625) is 3,4,10,10a-tetrahydrochrysene;1,2-dihydropyrazine.
What is the SMILES notation for 3,4,10,10a-tetrahydrochrysene;1,2-dihydropyrazine?
The canonical SMILES for 3,4,10,10a-tetrahydrochrysene;1,2-dihydropyrazine is C1=CCC2C(=C1)C=Cc1c2ccc2c1CCC=C2.C1=CNCC=N1.
What is the InChIKey of 3,4,10,10a-tetrahydrochrysene;1,2-dihydropyrazine?
The InChIKey is WNSJYTCJNSIBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C4H6N2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-6-4-3-5-1/h1-3,5-6,9-12,15H,4,7-8H2;1-3,6H,4H2.
What are the key properties of 3,4,10,10a-tetrahydrochrysene;1,2-dihydropyrazine?
3,4,10,10a-tetrahydrochrysene;1,2-dihydropyrazine has a molecular weight of 314.43 g/mol, XLogP of 4.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,10,10a-tetrahydrochrysene;1,2-dihydropyrazine is sourced from PubChem (CID 175245625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).