1,6-dimethyl-3-propan-2-yl-2H-pyrazine

C9H16N2 — CID 70454200

IUPAC1,6-dimethyl-3-propan-2-yl-2H-pyrazine
SMILESCC1=CN=C(C(C)C)CN1C
InChIInChI=1S/C9H16N2/c1-7(2)9-6-11(4)8(3)5-10-9/h5,7H,6H2,1-4H3
InChIKeyHAMNLPRPFLRIAA-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.89
Rot. Bonds1

About 1,6-dimethyl-3-propan-2-yl-2H-pyrazine

1,6-dimethyl-3-propan-2-yl-2H-pyrazine (PubChem CID 70454200) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,6-dimethyl-3-propan-2-yl-2H-pyrazine.

Molecular Properties

Compound Name1,6-dimethyl-3-propan-2-yl-2H-pyrazine
PubChem CID70454200
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,6-dimethyl-3-propan-2-yl-2H-pyrazine
SMILESCC1=CN=C(C(C)C)CN1C
InChIInChI=1S/C9H16N2/c1-7(2)9-6-11(4)8(3)5-10-9/h5,7H,6H2,1-4H3
InChIKeyHAMNLPRPFLRIAA-UHFFFAOYSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,6-tetramethyl-2H-pyrazine
CID 67745664
3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium
CID 91163840
3,6-ditert-butyl-1-methyl-2H-pyrazine
CID 134369011
ethane;N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine
CID 142358655
ethane;1,3,6-trimethyl-2H-pyrazine
CID 143336614
1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine
CID 150909920
3-ethyl-1,6-dimethyl-2H-pyrazine
CID 166804537
(Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine
CID 167287449
N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine;ethane
CID 172576071
1-methyl-3-propan-2-yl-2H-pyrazine
CID 175224123
1,4-diethyl-3,6-dimethyl-2H-pyrazin-4-ium
CID 129716917
N,N,N'-trimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine
CID 142358656

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-propan-2-yl-2H-pyrazine?
The IUPAC name of 1,6-dimethyl-3-propan-2-yl-2H-pyrazine (CID 70454200) is 1,6-dimethyl-3-propan-2-yl-2H-pyrazine.
What is the SMILES notation for 1,6-dimethyl-3-propan-2-yl-2H-pyrazine?
The canonical SMILES for 1,6-dimethyl-3-propan-2-yl-2H-pyrazine is CC1=CN=C(C(C)C)CN1C.
What is the InChIKey of 1,6-dimethyl-3-propan-2-yl-2H-pyrazine?
The InChIKey is HAMNLPRPFLRIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)9-6-11(4)8(3)5-10-9/h5,7H,6H2,1-4H3.
What are the key properties of 1,6-dimethyl-3-propan-2-yl-2H-pyrazine?
1,6-dimethyl-3-propan-2-yl-2H-pyrazine has a molecular weight of 152.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-propan-2-yl-2H-pyrazine is sourced from PubChem (CID 70454200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).