6,7-dimethyl-4,8-dihydro-3H-cyclohepta[b]pyrazine

C11H14N2 — CID 163892287

IUPAC6,7-dimethyl-4,8-dihydro-3H-cyclohepta[b]pyrazine
SMILESCC1=C(C)CC=C2N=CCNC2=C1
InChIInChI=1S/C11H14N2/c1-8-3-4-10-11(7-9(8)2)13-6-5-12-10/h4-5,7,13H,3,6H2,1-2H3
InChIKeyQCOCRUMTVRHCSQ-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.17
Rot. Bonds

About 6,7-dimethyl-4,8-dihydro-3H-cyclohepta[b]pyrazine

6,7-dimethyl-4,8-dihydro-3H-cyclohepta[b]pyrazine (PubChem CID 163892287) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 6,7-dimethyl-4,8-dihydro-3H-cyclohepta[b]pyrazine.

Molecular Properties

Compound Name6,7-dimethyl-4,8-dihydro-3H-cyclohepta[b]pyrazine
PubChem CID163892287
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name6,7-dimethyl-4,8-dihydro-3H-cyclohepta[b]pyrazine
SMILESCC1=C(C)CC=C2N=CCNC2=C1
InChIInChI=1S/C11H14N2/c1-8-3-4-10-11(7-9(8)2)13-6-5-12-10/h4-5,7,13H,3,6H2,1-2H3
InChIKeyQCOCRUMTVRHCSQ-UHFFFAOYSA-N
XLogP2.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(ethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine
CID 68274131
6-methyl-7-(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)-4,5-dihydro-3H-azepine
CID 123155330
3-methyl-6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine
CID 123695228
(3Z)-N-methyl-3-(2-methyl-2H-pyridin-3-ylidene)prop-1-en-2-amine
CID 129144728
7-Methyl-1,2,8,8a-tetrahydroquinoxaline
CID 130349886
N-(4-methyl-2-methylidene-1H-pyridin-3-yl)ethanimine
CID 142610386
2-(4,6-Dimethyl-1,2-dihydropyridin-2-yl)ethanimine
CID 143125324
6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine
CID 143453446
(1Z)-N-ethyl-1-[(2E)-2-ethylidene-3-pyridinylidene]ethanamine
CID 143707398
1-N-methyl-6-(methylideneamino)cyclohexa-1,5-diene-1,4-diamine
CID 144061156
N-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine
CID 144509143
N-methyl-6-(prop-2-enylideneamino)cyclohexa-1,5-dien-1-amine
CID 144683308

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4,8-dihydro-3H-cyclohepta[b]pyrazine?
The IUPAC name of 6,7-dimethyl-4,8-dihydro-3H-cyclohepta[b]pyrazine (CID 163892287) is 6,7-dimethyl-4,8-dihydro-3H-cyclohepta[b]pyrazine.
What is the SMILES notation for 6,7-dimethyl-4,8-dihydro-3H-cyclohepta[b]pyrazine?
The canonical SMILES for 6,7-dimethyl-4,8-dihydro-3H-cyclohepta[b]pyrazine is CC1=C(C)CC=C2N=CCNC2=C1.
What is the InChIKey of 6,7-dimethyl-4,8-dihydro-3H-cyclohepta[b]pyrazine?
The InChIKey is QCOCRUMTVRHCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-3-4-10-11(7-9(8)2)13-6-5-12-10/h4-5,7,13H,3,6H2,1-2H3.
What are the key properties of 6,7-dimethyl-4,8-dihydro-3H-cyclohepta[b]pyrazine?
6,7-dimethyl-4,8-dihydro-3H-cyclohepta[b]pyrazine has a molecular weight of 174.25 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4,8-dihydro-3H-cyclohepta[b]pyrazine is sourced from PubChem (CID 163892287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).