3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine

C9H11N5 — CID 112559104

IUPAC3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine
SMILESCc1nn(C)cc1-c1nccnc1N
InChIInChI=1S/C9H11N5/c1-6-7(5-14(2)13-6)8-9(10)12-4-3-11-8/h3-5H,1-2H3,(H2,10,12)
InChIKeyRHVQPLFUKFNENH-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.77
Rot. Bonds1

About 3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine

3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine (PubChem CID 112559104) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine
PubChem CID112559104
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine
SMILESCc1nn(C)cc1-c1nccnc1N
InChIInChI=1S/C9H11N5/c1-6-7(5-14(2)13-6)8-9(10)12-4-3-11-8/h3-5H,1-2H3,(H2,10,12)
InChIKeyRHVQPLFUKFNENH-UHFFFAOYSA-N
XLogP0.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-dimethylpyrazol-4-yl)-2,3-dimethylimidazol-4-amine
CID 83092115
3-(1,3-dimethylpyrazol-4-yl)-1-ethylpyrazol-4-amine
CID 19621294
3-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-propan-2-ylpyrazol-5-amine
CID 102801702
3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 65197444
3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline
CID 104781282
3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
CID 65197494
3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine
CID 83222656
3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline
CID 107627174
3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline
CID 107579808
1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine
CID 83222401
3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 102801816
1,3-dimethylpyrazole-4-diazonium
CID 12687201

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine (CID 112559104) is 3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine is Cc1nn(C)cc1-c1nccnc1N.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine?
The InChIKey is RHVQPLFUKFNENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-6-7(5-14(2)13-6)8-9(10)12-4-3-11-8/h3-5H,1-2H3,(H2,10,12).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine?
3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine has a molecular weight of 189.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine is sourced from PubChem (CID 112559104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).