5-(2-methoxypropylamino)pyrazine-2-carboximidamide

C9H15N5O — CID 102698449

IUPAC5-(2-methoxypropylamino)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(NCC(C)OC)cn1
InChIInChI=1S/C9H15N5O/c1-6(15-2)3-13-8-5-12-7(4-14-8)9(10)11/h4-6H,3H2,1-2H3,(H3,10,11)(H,13,14)
InChIKeyCMUVQBQAQVRQKA-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.21
Rot. Bonds5

About 5-(2-methoxypropylamino)pyrazine-2-carboximidamide

5-(2-methoxypropylamino)pyrazine-2-carboximidamide (PubChem CID 102698449) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(2-methoxypropylamino)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name5-(2-methoxypropylamino)pyrazine-2-carboximidamide
PubChem CID102698449
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name5-(2-methoxypropylamino)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(NCC(C)OC)cn1
InChIInChI=1S/C9H15N5O/c1-6(15-2)3-13-8-5-12-7(4-14-8)9(10)11/h4-6H,3H2,1-2H3,(H3,10,11)(H,13,14)
InChIKeyCMUVQBQAQVRQKA-UHFFFAOYSA-N
XLogP0.21
TPSA96.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-methoxypropylamino)pyrazine-2-carboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide
CID 107550711
3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide
CID 102698434
6-(2-methoxypropylamino)pyridine-3-carboxamide
CID 102699145
2-(2-methoxypropylamino)-6-methylpyridine-3-carboximidamide
CID 102698441
5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine
CID 102694575
5-(2-methylpentoxy)pyrazine-2-carboximidamide
CID 103283955
5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
2-ethylsulfanyl-6-(2-methoxypropylamino)benzenecarboximidamide
CID 102698438
2-(2-methoxypropylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 102698430
2-(2-methoxypropylamino)pyridine-4-carbothioamide
CID 102698285
5-(propan-2-ylamino)pyridine-2-carboximidamide
CID 115489626
5-(tert-butylamino)pyridine-2-carboximidamide
CID 71756788

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypropylamino)pyrazine-2-carboximidamide?
The IUPAC name of 5-(2-methoxypropylamino)pyrazine-2-carboximidamide (CID 102698449) is 5-(2-methoxypropylamino)pyrazine-2-carboximidamide.
What is the SMILES notation for 5-(2-methoxypropylamino)pyrazine-2-carboximidamide?
The canonical SMILES for 5-(2-methoxypropylamino)pyrazine-2-carboximidamide is [H]/N=C(\N)c1cnc(NCC(C)OC)cn1.
What is the InChIKey of 5-(2-methoxypropylamino)pyrazine-2-carboximidamide?
The InChIKey is CMUVQBQAQVRQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-6(15-2)3-13-8-5-12-7(4-14-8)9(10)11/h4-6H,3H2,1-2H3,(H3,10,11)(H,13,14).
What are the key properties of 5-(2-methoxypropylamino)pyrazine-2-carboximidamide?
5-(2-methoxypropylamino)pyrazine-2-carboximidamide has a molecular weight of 209.25 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypropylamino)pyrazine-2-carboximidamide is sourced from PubChem (CID 102698449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).