2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine

C12H16N4 — CID 126724010

IUPAC2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine
SMILESCCC(C)c1cnc(-n2cc(C)cn2)cn1
InChIInChI=1S/C12H16N4/c1-4-10(3)11-6-14-12(7-13-11)16-8-9(2)5-15-16/h5-8,10H,4H2,1-3H3
InChIKeyMEJVZPMZFKBCQX-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.48
Rot. Bonds3

About 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine

2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine (PubChem CID 126724010) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine
PubChem CID126724010
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine
SMILESCCC(C)c1cnc(-n2cc(C)cn2)cn1
InChIInChI=1S/C12H16N4/c1-4-10(3)11-6-14-12(7-13-11)16-8-9(2)5-15-16/h5-8,10H,4H2,1-3H3
InChIKeyMEJVZPMZFKBCQX-UHFFFAOYSA-N
XLogP2.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazin-2-amine
CID 49790537
N,N-dimethyl-1-(1-{[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl}-1H-1,2,3-triazol-4-yl)methanamine
CID 46989602
3-t-Butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine
CID 146037688
5-[[4-(3-Aminopropyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine;hydrochloride
CID 155563338
2,4,5-trimethyl-6-[(3S)-3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidine
CID 164640534
2-[4-[(1,5-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluoropiperidin-1-yl)pyrazine
CID 59438205
2-(4-Fluoropyrazol-1-yl)-5-propylpyrazine
CID 130436171
2-Ethyl-5-(4-fluoropyrazol-1-yl)pyrazine
CID 130436174
(4S)-4-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-2-methylpentane-2-sulfinamide
CID 140783917
1-[5-(4-Fluoropyrazol-1-yl)pyrazin-2-yl]ethanimine
CID 155329735
2-(4-Fluoropyrazol-1-yl)-5-(3-methylbutan-2-yl)pyrazine
CID 155329736
1-[3-[4-(Trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]ethanamine
CID 167323080

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine?
The IUPAC name of 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine (CID 126724010) is 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine.
What is the SMILES notation for 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine?
The canonical SMILES for 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine is CCC(C)c1cnc(-n2cc(C)cn2)cn1.
What is the InChIKey of 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine?
The InChIKey is MEJVZPMZFKBCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-4-10(3)11-6-14-12(7-13-11)16-8-9(2)5-15-16/h5-8,10H,4H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine?
2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine has a molecular weight of 216.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-(4-methylpyrazol-1-yl)pyrazine is sourced from PubChem (CID 126724010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).