(6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine

C16H23N3 — CID 134265616

IUPAC(6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESc1cc(CC2CCC2)c2c(n1)N1CCNC[C@H]1CC2
InChIInChI=1S/C16H23N3/c1-2-12(3-1)10-13-6-7-18-16-15(13)5-4-14-11-17-8-9-19(14)16/h6-7,12,14,17H,1-5,8-11H2/t14-/m1/s1
InChIKeyWDUJNEUBVHIQQH-CQSZACIVSA-N
MW257.38 g/mol
LogP2.15
Rot. Bonds2

About (6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine

(6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (PubChem CID 134265616) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name(6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
PubChem CID134265616
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESc1cc(CC2CCC2)c2c(n1)N1CCNC[C@H]1CC2
InChIInChI=1S/C16H23N3/c1-2-12(3-1)10-13-6-7-18-16-15(13)5-4-14-11-17-8-9-19(14)16/h6-7,12,14,17H,1-5,8-11H2/t14-/m1/s1
InChIKeyWDUJNEUBVHIQQH-CQSZACIVSA-N
XLogP2.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The IUPAC name of (6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (CID 134265616) is (6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.
What is the SMILES notation for (6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The canonical SMILES for (6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is c1cc(CC2CCC2)c2c(n1)N1CCNC[C@H]1CC2.
What is the InChIKey of (6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The InChIKey is WDUJNEUBVHIQQH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-12(3-1)10-13-6-7-18-16-15(13)5-4-14-11-17-8-9-19(14)16/h6-7,12,14,17H,1-5,8-11H2/t14-/m1/s1.
What are the key properties of (6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
(6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine has a molecular weight of 257.38 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-4-(cyclobutylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 134265616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).