2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine

C11H13N5 — CID 115289491

IUPAC2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
SMILESCn1cc(C2CNc3cnccc3N2)cn1
InChIInChI=1S/C11H13N5/c1-16-7-8(4-14-16)10-6-13-11-5-12-3-2-9(11)15-10/h2-5,7,10,13,15H,6H2,1H3
InChIKeyZKHGCVCZWAYNDW-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.39
Rot. Bonds1

About 2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine

2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine (PubChem CID 115289491) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
PubChem CID115289491
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
SMILESCn1cc(C2CNc3cnccc3N2)cn1
InChIInChI=1S/C11H13N5/c1-16-7-8(4-14-16)10-6-13-11-5-12-3-2-9(11)15-10/h2-5,7,10,13,15H,6H2,1H3
InChIKeyZKHGCVCZWAYNDW-UHFFFAOYSA-N
XLogP1.39
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoxaline
CID 113316504
6-methyl-3-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
CID 113279745
(2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 95241931
(2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
CID 177322255
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 120942989
[(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 86767710
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 120942144
7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 115289464
(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120942946
3-cyclobutyl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
CID 130986112
1-methyl-4-[(2R)-oxiran-2-yl]pyrazole
CID 83129463
3-benzyl-4-(1-methylpyrazol-4-yl)piperidine
CID 79321270

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine (CID 115289491) is 2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine is Cn1cc(C2CNc3cnccc3N2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine?
The InChIKey is ZKHGCVCZWAYNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-16-7-8(4-14-16)10-6-13-11-5-12-3-2-9(11)15-10/h2-5,7,10,13,15H,6H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine?
2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine has a molecular weight of 215.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine is sourced from PubChem (CID 115289491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).