1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine

C12H17N5 — CID 83222881

IUPAC1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine
SMILESCC(C)CCn1cc(N)c(-c2cnccn2)n1
InChIInChI=1S/C12H17N5/c1-9(2)3-6-17-8-10(13)12(16-17)11-7-14-4-5-15-11/h4-5,7-9H,3,6,13H2,1-2H3
InChIKeyBGUWVIXAXPKJBE-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.97
Rot. Bonds4

About 1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine

1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine (PubChem CID 83222881) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine
PubChem CID83222881
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine
SMILESCC(C)CCn1cc(N)c(-c2cnccn2)n1
InChIInChI=1S/C12H17N5/c1-9(2)3-6-17-8-10(13)12(16-17)11-7-14-4-5-15-11/h4-5,7-9H,3,6,13H2,1-2H3
InChIKeyBGUWVIXAXPKJBE-UHFFFAOYSA-N
XLogP1.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine?
The IUPAC name of 1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine (CID 83222881) is 1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine?
The canonical SMILES for 1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine is CC(C)CCn1cc(N)c(-c2cnccn2)n1.
What is the InChIKey of 1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine?
The InChIKey is BGUWVIXAXPKJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9(2)3-6-17-8-10(13)12(16-17)11-7-14-4-5-15-11/h4-5,7-9H,3,6,13H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine?
1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine is sourced from PubChem (CID 83222881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).