3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole;ethane

C11H21N3 — CID 142548519

IUPAC3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole;ethane
SMILESC/C=C\C(C)n1nc(C)nc1C.CC
InChIInChI=1S/C9H15N3.C2H6/c1-5-6-7(2)12-9(4)10-8(3)11-12;1-2/h5-7H,1-4H3;1-2H3/b6-5-;
InChIKeyMBAIXYMKXYLVKW-YSMBQZINSA-N
MW195.31 g/mol
LogP3.06
Rot. Bonds2

About 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole;ethane

3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole;ethane (PubChem CID 142548519) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole;ethane.

Molecular Properties

Compound Name3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole;ethane
PubChem CID142548519
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole;ethane
SMILESC/C=C\C(C)n1nc(C)nc1C.CC
InChIInChI=1S/C9H15N3.C2H6/c1-5-6-7(2)12-9(4)10-8(3)11-12;1-2/h5-7H,1-4H3;1-2H3/b6-5-;
InChIKeyMBAIXYMKXYLVKW-YSMBQZINSA-N
XLogP3.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 134468907
5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 10867177
2-Methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 59299738
1,3,4,5-Tetrakis(prop-2-enyl)-1,2,4-triazol-4-ium iodide
CID 67831971
2-Methyl-5,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 68072987
3,5-Bis(but-3-enyl)-1-methyl-1,2,4-triazole
CID 70275704
2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine
CID 91185483
1-But-2-enyl-3,5-dimethyl-1,2,4-triazole
CID 91278220
N,4,5-trimethyl-N-nona-3,5,8-trienyl-1,2,4-triazol-3-amine
CID 123288397
3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole
CID 138485688
CID 140576511
CID 140576511
5-Cyclohexa-1,5-dien-1-yl-3-methyl-1-propan-2-yl-1,2,4-triazole
CID 141302367

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole;ethane?
The IUPAC name of 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole;ethane (CID 142548519) is 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole;ethane.
What is the SMILES notation for 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole;ethane?
The canonical SMILES for 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole;ethane is C/C=C\C(C)n1nc(C)nc1C.CC.
What is the InChIKey of 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole;ethane?
The InChIKey is MBAIXYMKXYLVKW-YSMBQZINSA-N. The full InChI is InChI=1S/C9H15N3.C2H6/c1-5-6-7(2)12-9(4)10-8(3)11-12;1-2/h5-7H,1-4H3;1-2H3/b6-5-;.
What are the key properties of 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole;ethane?
3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole;ethane has a molecular weight of 195.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole;ethane is sourced from PubChem (CID 142548519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).