3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide

C14H22N6 — CID 79938613

IUPAC3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCN3CCCC3C2)nnc(C)c1C
InChIInChI=1S/C14H22N6/c1-9-10(2)17-18-14(12(9)13(15)16)20-7-6-19-5-3-4-11(19)8-20/h11H,3-8H2,1-2H3,(H3,15,16)
InChIKeySDLFMRJUBNPTLL-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.66
Rot. Bonds2

About 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 79938613) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID79938613
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCN3CCCC3C2)nnc(C)c1C
InChIInChI=1S/C14H22N6/c1-9-10(2)17-18-14(12(9)13(15)16)20-7-6-19-5-3-4-11(19)8-20/h11H,3-8H2,1-2H3,(H3,15,16)
InChIKeySDLFMRJUBNPTLL-UHFFFAOYSA-N
XLogP0.66
TPSA82.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.66
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-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 55216184
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5,6-dimethylpyridazine-4-carboxylic acid
CID 63155145
3-(azepan-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 61096668
3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 62089530
3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 103534108
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752216
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methylpyridine-4-carboximidamide
CID 114769109
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzenecarboximidamide
CID 79938375
3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 62773452
3-(4-ethyl-4-methylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 63160762
5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 55243294
[5,6-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridazin-4-yl]methanamine
CID 63171746

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide (CID 79938613) is 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N2CCN3CCCC3C2)nnc(C)c1C.
What is the InChIKey of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is SDLFMRJUBNPTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-9-10(2)17-18-14(12(9)13(15)16)20-7-6-19-5-3-4-11(19)8-20/h11H,3-8H2,1-2H3,(H3,15,16).
What are the key properties of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide?
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 274.37 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 79938613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).