5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide

C11H16N8 — CID 64576688

IUPAC5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCn2cnnc2C1
InChIInChI=1S/C11H16N8/c1-7-9(10(12)13)11(17(2)16-7)18-3-4-19-6-14-15-8(19)5-18/h6H,3-5H2,1-2H3,(H3,12,13)
InChIKeyIJLJMJDCFXJRCD-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.38
Rot. Bonds2

About 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide

5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 64576688) has the molecular formula C11H16N8 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID64576688
Molecular FormulaC11H16N8
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCn2cnnc2C1
InChIInChI=1S/C11H16N8/c1-7-9(10(12)13)11(17(2)16-7)18-3-4-19-6-14-15-8(19)5-18/h6H,3-5H2,1-2H3,(H3,12,13)
InChIKeyIJLJMJDCFXJRCD-UHFFFAOYSA-N
XLogP-0.38
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

5,7,8-Trimethyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 72704900
Bumepidil
CID 68813
1,3-Dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219860
1-(tert-butyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (6)
CID 59633844
(5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-ynyl-amine
CID 653352
3-Ethyl-7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671184
7-Methyl-3-propyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671185
8-n-Butyl-6,7-dihydro-5-methyl-8H-pyrrolo[3,2-e]-s-triazolo[1,5-a]pyrimidin
CID 12671194
8-sec-Butyl-6,7-dihydro-5-methyl-8H-pyrrolo[3,2-e]-s-triazolo[1,5-a]pyrimidine
CID 12671198
6,7-Dihydro-8-isobutyl-5-methyl-8H-pyrrolo[3,2-e]-s-triazolo[1,5-a]pyrimidine
CID 12671199
3-Heptyl-7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671219
5-methyl-8-(2-piperidinoethyl)-7,8-dihydro-6H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine
CID 3755036

Frequently Asked Questions

What is the IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide (CID 64576688) is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N1CCn2cnnc2C1.
What is the InChIKey of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is IJLJMJDCFXJRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8/c1-7-9(10(12)13)11(17(2)16-7)18-3-4-19-6-14-15-8(19)5-18/h6H,3-5H2,1-2H3,(H3,12,13).
What are the key properties of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide?
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 260.30 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 64576688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).