3-[3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboximidamide

C13H22N6 — CID 63170415

IUPAC3-[3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N1CCC(N(CC)CC)C1
InChIInChI=1S/C13H22N6/c1-3-18(4-2)10-5-8-19(9-10)13-11(12(14)15)16-6-7-17-13/h6-7,10H,3-5,8-9H2,1-2H3,(H3,14,15)
InChIKeyPUYZXICNTZYHFS-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.68
Rot. Bonds5

About 3-[3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboximidamide

3-[3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboximidamide (PubChem CID 63170415) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-[3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboximidamide
PubChem CID63170415
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name3-[3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N1CCC(N(CC)CC)C1
InChIInChI=1S/C13H22N6/c1-3-18(4-2)10-5-8-19(9-10)13-11(12(14)15)16-6-7-17-13/h6-7,10H,3-5,8-9H2,1-2H3,(H3,14,15)
InChIKeyPUYZXICNTZYHFS-UHFFFAOYSA-N
XLogP0.68
TPSA82.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.68
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

N'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide
CID 45276252
N'-hydroxy-6-(2-methyl-1-piperidyl)pyrazine-2-carboxamidine
CID 135508898
2-Methyl-1,4-dihydropteridine
CID 45080413
5-(aminomethyl)-N,N-dimethylpyrazin-2-amine dihydrochloride
CID 137971670
Pyrazine, 2-amidino-3-methylamino-
CID 23422086
Pteridine, 1,4-dihydro-4-imino-1-methyl-
CID 23422110
Pteridine, 1,4-dihydro-1-methyl-4-methylimino-
CID 23422112
Pteridine, 2-amino-3,4-dihydro-
CID 45080492
N-amidino-3-aminopyrazinecarboxamidine
CID 129774642
rel-(3R,4S)-4-isopropyl-N,N-dimethyl-1-(3-methyl-2-pyrazinyl)-3-pyrrolidinamine hydrochloride
CID 72894110
3-[(3S)-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 129620563
1-[(3-Methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine
CID 137964835

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboximidamide?
The IUPAC name of 3-[3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboximidamide (CID 63170415) is 3-[3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboximidamide.
What is the SMILES notation for 3-[3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboximidamide?
The canonical SMILES for 3-[3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N1CCC(N(CC)CC)C1.
What is the InChIKey of 3-[3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboximidamide?
The InChIKey is PUYZXICNTZYHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-3-18(4-2)10-5-8-19(9-10)13-11(12(14)15)16-6-7-17-13/h6-7,10H,3-5,8-9H2,1-2H3,(H3,14,15).
What are the key properties of 3-[3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboximidamide?
3-[3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)pyrrolidin-1-yl]pyrazine-2-carboximidamide is sourced from PubChem (CID 63170415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).