3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine

C16H18N4 — CID 166243715

IUPAC3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine
SMILESNc1nccnc1NC1CC2c3ccccc3CCC12
InChIInChI=1S/C16H18N4/c17-15-16(19-8-7-18-15)20-14-9-13-11-4-2-1-3-10(11)5-6-12(13)14/h1-4,7-8,12-14H,5-6,9H2,(H2,17,18)(H,19,20)
InChIKeyZJJBOPJDDMGVLS-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.59
Rot. Bonds2

About 3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine

3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine (PubChem CID 166243715) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine
PubChem CID166243715
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine
SMILESNc1nccnc1NC1CC2c3ccccc3CCC12
InChIInChI=1S/C16H18N4/c17-15-16(19-8-7-18-15)20-14-9-13-11-4-2-1-3-10(11)5-6-12(13)14/h1-4,7-8,12-14H,5-6,9H2,(H2,17,18)(H,19,20)
InChIKeyZJJBOPJDDMGVLS-UHFFFAOYSA-N
XLogP2.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine with MolForge

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Related Compounds

N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)isoquinolin-1-amine
CID 166382956
N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-7-chloroisoquinolin-1-amine
CID 166382963
N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-methoxyisoquinolin-1-amine
CID 167801144
3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine
CID 113228947
N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167871225
N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
CID 167818837
4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine
CID 10443504
5-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596259
2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-6-amino-1H-1,3,5-triazine-4-thione
CID 83241113
4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1,3-thiazol-2-amine
CID 112562111
[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305505
2-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-5-chloro-1,3,4-oxadiazole
CID 114771019

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine (CID 166243715) is 3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine is Nc1nccnc1NC1CC2c3ccccc3CCC12.
What is the InChIKey of 3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine?
The InChIKey is ZJJBOPJDDMGVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c17-15-16(19-8-7-18-15)20-14-9-13-11-4-2-1-3-10(11)5-6-12(13)14/h1-4,7-8,12-14H,5-6,9H2,(H2,17,18)(H,19,20).
What are the key properties of 3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine?
3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine has a molecular weight of 266.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine is sourced from PubChem (CID 166243715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).