1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine

C11H15N5 — CID 83222452

IUPAC1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine
SMILESCC(C)(C)n1cc(N)c(-c2cnccn2)n1
InChIInChI=1S/C11H15N5/c1-11(2,3)16-7-8(12)10(15-16)9-6-13-4-5-14-9/h4-7H,12H2,1-3H3
InChIKeyODUDVNFHWADLLD-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.68
Rot. Bonds1

About 1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine

1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine (PubChem CID 83222452) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine
PubChem CID83222452
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine
SMILESCC(C)(C)n1cc(N)c(-c2cnccn2)n1
InChIInChI=1S/C11H15N5/c1-11(2,3)16-7-8(12)10(15-16)9-6-13-4-5-14-9/h4-7H,12H2,1-3H3
InChIKeyODUDVNFHWADLLD-UHFFFAOYSA-N
XLogP1.68
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propyl-3-pyrazin-2-ylpyrazol-4-amine
CID 83222398
1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine
CID 83222881
1-tert-butyl-3-(3-methylphenyl)pyrazol-4-amine
CID 83222373
2-(3,5-ditert-butylphenyl)pyrazine
CID 175590155
4-(4-bromo-1-tert-butylpyrazol-3-yl)pyrimidin-2-amine
CID 118314620
tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)
CID 138986841
4-pyrazin-2-yl-1,3-oxazol-5-amine
CID 82415331
3-methyl-5-pyrazin-2-ylaniline
CID 107579564
5-methyl-2-propyl-6-pyrazin-2-ylpyrimidin-4-amine
CID 80977225
5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile
CID 22449345
2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine
CID 121211545
tetrakis(6-pyrazin-2-ylpyrazin-2-yl)silane
CID 71124248

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine?
The IUPAC name of 1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine (CID 83222452) is 1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine?
The canonical SMILES for 1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine is CC(C)(C)n1cc(N)c(-c2cnccn2)n1.
What is the InChIKey of 1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine?
The InChIKey is ODUDVNFHWADLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-11(2,3)16-7-8(12)10(15-16)9-6-13-4-5-14-9/h4-7H,12H2,1-3H3.
What are the key properties of 1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine?
1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine has a molecular weight of 217.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine is sourced from PubChem (CID 83222452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).