8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine

C12H13N3S — CID 115285789

IUPAC8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
SMILESCc1ccnc2c1NCC(c1cccs1)N2
InChIInChI=1S/C12H13N3S/c1-8-4-5-13-12-11(8)14-7-9(15-12)10-3-2-6-16-10/h2-6,9,14H,7H2,1H3,(H,13,15)
InChIKeyCSMQBVHNCMCCAI-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.03
Rot. Bonds1

About 8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine

8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine (PubChem CID 115285789) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
PubChem CID115285789
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
SMILESCc1ccnc2c1NCC(c1cccs1)N2
InChIInChI=1S/C12H13N3S/c1-8-4-5-13-12-11(8)14-7-9(15-12)10-3-2-6-16-10/h2-6,9,14H,7H2,1H3,(H,13,15)
InChIKeyCSMQBVHNCMCCAI-UHFFFAOYSA-N
XLogP3.03
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3980200
(2S)-2-thiophen-2-ylaziridine
CID 55263035
7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115472239
6-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115285782
7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115285794
4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3591204
5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3505165
7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115285777
6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3618708
(7R)-4-methyl-7-thiophen-2-yl-7,8-dihydro-6H-quinolin-5-one
CID 129364052
3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 4738375
(2S)-2-thiophen-2-ylpiperidine
CID 7022116

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine?
The IUPAC name of 8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine (CID 115285789) is 8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine.
What is the SMILES notation for 8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine?
The canonical SMILES for 8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine is Cc1ccnc2c1NCC(c1cccs1)N2.
What is the InChIKey of 8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine?
The InChIKey is CSMQBVHNCMCCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-8-4-5-13-12-11(8)14-7-9(15-12)10-3-2-6-16-10/h2-6,9,14H,7H2,1H3,(H,13,15).
What are the key properties of 8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine?
8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine has a molecular weight of 231.32 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine is sourced from PubChem (CID 115285789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).