ethane;6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole

C12H23N3 — CID 143794572

IUPACethane;6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole
SMILESCC.CCC1=CC2=C(CC1)N(C)NN2C
InChIInChI=1S/C10H17N3.C2H6/c1-4-8-5-6-9-10(7-8)13(3)11-12(9)2;1-2/h7,11H,4-6H2,1-3H3;1-2H3
InChIKeyIYPMSZKPTRWYDA-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.65
Rot. Bonds1

About ethane;6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole

ethane;6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole (PubChem CID 143794572) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is ethane;6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole.

Molecular Properties

Compound Nameethane;6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole
PubChem CID143794572
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Nameethane;6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole
SMILESCC.CCC1=CC2=C(CC1)N(C)NN2C
InChIInChI=1S/C10H17N3.C2H6/c1-4-8-5-6-9-10(7-8)13(3)11-12(9)2;1-2/h7,11H,4-6H2,1-3H3;1-2H3
InChIKeyIYPMSZKPTRWYDA-UHFFFAOYSA-N
XLogP2.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Fluoro-2,3,4,5-tetrahydroindol-1-amine
CID 89009830
(3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine
CID 89379521
2,5,6,7-Tetrahydrocyclopenta[b]pyridin-1-amine
CID 141130699
2-[Amino(methyl)amino]-4-ethylcyclohexa-1,3-dien-1-amine;ethane
CID 143794540
ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-amine
CID 144430573
5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine;ethane
CID 145152600
5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine
CID 145152601
ethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-1-amine
CID 145152677
3-Ethyl-1-methyl-2,4,5,6-tetrahydroindazol-6-amine
CID 156579240
diamino-[3-(2H-inden-1-yl)propyl]-methylazanium
CID 164053918
(3Z)-3-[(Z)-but-2-enylidene]-2-methylidene-4,5-dihydroindol-1-amine
CID 167281745
2,3,5,6-Tetrahydrocarbazol-9-amine
CID 170370449

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole?
The IUPAC name of ethane;6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole (CID 143794572) is ethane;6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole.
What is the SMILES notation for ethane;6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole?
The canonical SMILES for ethane;6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole is CC.CCC1=CC2=C(CC1)N(C)NN2C.
What is the InChIKey of ethane;6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole?
The InChIKey is IYPMSZKPTRWYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.C2H6/c1-4-8-5-6-9-10(7-8)13(3)11-12(9)2;1-2/h7,11H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole?
ethane;6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole has a molecular weight of 209.34 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-1,3-dimethyl-4,5-dihydro-2H-benzotriazole is sourced from PubChem (CID 143794572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).