3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide

C12H14N6 — CID 62684033

IUPAC3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(C)Cc1cccnc1
InChIInChI=1S/C12H14N6/c1-18(8-9-3-2-4-15-7-9)12-10(11(13)14)16-5-6-17-12/h2-7H,8H2,1H3,(H3,13,14)
InChIKeyTVMQOEXTBLSWPD-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.79
Rot. Bonds4

About 3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide

3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide (PubChem CID 62684033) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide
PubChem CID62684033
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(C)Cc1cccnc1
InChIInChI=1S/C12H14N6/c1-18(8-9-3-2-4-15-7-9)12-10(11(13)14)16-5-6-17-12/h2-7H,8H2,1H3,(H3,13,14)
InChIKeyTVMQOEXTBLSWPD-UHFFFAOYSA-N
XLogP0.79
TPSA91.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide
CID 62684888
3-[methyl(pyridin-2-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684211
6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carboximidamide
CID 43563471
2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide
CID 107550165
2-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbothioamide
CID 43563703
3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
CID 54933735
[2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61255832
3-[(5-chlorothiophen-2-yl)methyl-methylamino]pyrazine-2-carboximidamide
CID 55104411
3-[butyl(methyl)amino]pyrazine-2-carboximidamide
CID 62684705
2-bromo-3-fluoro-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
CID 107536326
3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide
CID 112660138
5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63290756

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide?
The IUPAC name of 3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide (CID 62684033) is 3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide.
What is the SMILES notation for 3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide?
The canonical SMILES for 3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N(C)Cc1cccnc1.
What is the InChIKey of 3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide?
The InChIKey is TVMQOEXTBLSWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-18(8-9-3-2-4-15-7-9)12-10(11(13)14)16-5-6-17-12/h2-7H,8H2,1H3,(H3,13,14).
What are the key properties of 3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide?
3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide has a molecular weight of 242.29 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide is sourced from PubChem (CID 62684033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).