(3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine

C16H27N3 — CID 170522616

IUPAC(3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine
SMILESCc1ncc(C(C)C)c2c1N(C)[C@H](C)CN2C(C)C
InChIInChI=1S/C16H27N3/c1-10(2)14-8-17-13(6)15-16(14)19(11(3)4)9-12(5)18(15)7/h8,10-12H,9H2,1-7H3/t12-/m1/s1
InChIKeyVPLVKYDLFTTXFO-GFCCVEGCSA-N
MW261.41 g/mol
LogP3.57
Rot. Bonds2

About (3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine

(3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine (PubChem CID 170522616) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is (3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name(3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine
PubChem CID170522616
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name(3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine
SMILESCc1ncc(C(C)C)c2c1N(C)[C@H](C)CN2C(C)C
InChIInChI=1S/C16H27N3/c1-10(2)14-8-17-13(6)15-16(14)19(11(3)4)9-12(5)18(15)7/h8,10-12H,9H2,1-7H3/t12-/m1/s1
InChIKeyVPLVKYDLFTTXFO-GFCCVEGCSA-N
XLogP3.57
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine?
The IUPAC name of (3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine (CID 170522616) is (3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine.
What is the SMILES notation for (3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine?
The canonical SMILES for (3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine is Cc1ncc(C(C)C)c2c1N(C)[C@H](C)CN2C(C)C.
What is the InChIKey of (3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine?
The InChIKey is VPLVKYDLFTTXFO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H27N3/c1-10(2)14-8-17-13(6)15-16(14)19(11(3)4)9-12(5)18(15)7/h8,10-12H,9H2,1-7H3/t12-/m1/s1.
What are the key properties of (3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine?
(3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine has a molecular weight of 261.41 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4,5-trimethyl-1,8-di(propan-2-yl)-2,3-dihydropyrido[3,4-b]pyrazine is sourced from PubChem (CID 170522616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).