3-N,3-N-bis(2-methylpropyl)pyrazine-2,3-diamine

C12H22N4 — CID 102985640

IUPAC3-N,3-N-bis(2-methylpropyl)pyrazine-2,3-diamine
SMILESCC(C)CN(CC(C)C)c1nccnc1N
InChIInChI=1S/C12H22N4/c1-9(2)7-16(8-10(3)4)12-11(13)14-5-6-15-12/h5-6,9-10H,7-8H2,1-4H3,(H2,13,14)
InChIKeyHPLUAWKGAFYKOD-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.18
Rot. Bonds5

About 3-N,3-N-bis(2-methylpropyl)pyrazine-2,3-diamine

3-N,3-N-bis(2-methylpropyl)pyrazine-2,3-diamine (PubChem CID 102985640) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-N,3-N-bis(2-methylpropyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-bis(2-methylpropyl)pyrazine-2,3-diamine
PubChem CID102985640
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-N,3-N-bis(2-methylpropyl)pyrazine-2,3-diamine
SMILESCC(C)CN(CC(C)C)c1nccnc1N
InChIInChI=1S/C12H22N4/c1-9(2)7-16(8-10(3)4)12-11(13)14-5-6-15-12/h5-6,9-10H,7-8H2,1-4H3,(H2,13,14)
InChIKeyHPLUAWKGAFYKOD-UHFFFAOYSA-N
XLogP2.18
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ampyzine
CID 23483
{3-[4-(3-Diisobutylamino-propyl)-piperazin-1-yl]-propyl}-pyrazin-2-yl-amine
CID 44348813
Pyrazine, 2-dimethylamino-, hydrochloride
CID 199885
1-Piperazinylpyrazine
CID 2734639
1-Methyl-4-(pyrazin-2-yl)-1,4-diazepane
CID 25263226
1-(Diaminomethylidene)-2-pyrazin-2-ylguanidine
CID 276760
N-(2-aminoethyl)pyrazin-2-amine
CID 16768175
6-(Pyrrolidin-1-yl)pyrazin-2-amine
CID 66520349
N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384049
N,N-dimethyl-6-piperazin-1-ylpyrazin-2-amine;hydrochloride
CID 90674680
N2-cyclobutyl-N2-methylpyrazine-2,5-diamine
CID 116356878
2-(2-Methylpiperazin-1-yl)pyrazine dihydrochloride
CID 132353948

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis(2-methylpropyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N,3-N-bis(2-methylpropyl)pyrazine-2,3-diamine (CID 102985640) is 3-N,3-N-bis(2-methylpropyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N,3-N-bis(2-methylpropyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N,3-N-bis(2-methylpropyl)pyrazine-2,3-diamine is CC(C)CN(CC(C)C)c1nccnc1N.
What is the InChIKey of 3-N,3-N-bis(2-methylpropyl)pyrazine-2,3-diamine?
The InChIKey is HPLUAWKGAFYKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)7-16(8-10(3)4)12-11(13)14-5-6-15-12/h5-6,9-10H,7-8H2,1-4H3,(H2,13,14).
What are the key properties of 3-N,3-N-bis(2-methylpropyl)pyrazine-2,3-diamine?
3-N,3-N-bis(2-methylpropyl)pyrazine-2,3-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(2-methylpropyl)pyrazine-2,3-diamine is sourced from PubChem (CID 102985640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).