(Z)-3-methylhex-2-ene;5-methyl-1H-1,2,4-triazole

C10H19N3 — CID 143982726

IUPAC(Z)-3-methylhex-2-ene;5-methyl-1H-1,2,4-triazole
SMILESC/C=C(/C)CCC.Cc1ncn[nH]1
InChIInChI=1S/C7H14.C3H5N3/c1-4-6-7(3)5-2;1-3-4-2-5-6-3/h5H,4,6H2,1-3H3;2H,1H3,(H,4,5,6)/b7-5-;
InChIKeyADOCGKPLWUCZDJ-YJOCEBFMSA-N
MW181.28 g/mol
LogP2.87
Rot. Bonds2

About (Z)-3-methylhex-2-ene;5-methyl-1H-1,2,4-triazole

(Z)-3-methylhex-2-ene;5-methyl-1H-1,2,4-triazole (PubChem CID 143982726) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z)-3-methylhex-2-ene;5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name(Z)-3-methylhex-2-ene;5-methyl-1H-1,2,4-triazole
PubChem CID143982726
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(Z)-3-methylhex-2-ene;5-methyl-1H-1,2,4-triazole
SMILESC/C=C(/C)CCC.Cc1ncn[nH]1
InChIInChI=1S/C7H14.C3H5N3/c1-4-6-7(3)5-2;1-3-4-2-5-6-3/h5H,4,6H2,1-3H3;2H,1H3,(H,4,5,6)/b7-5-;
InChIKeyADOCGKPLWUCZDJ-YJOCEBFMSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-octadec-9-enyl-1H-1,2,4-triazole
CID 53678264
5-hex-1-enyl-1H-1,2,4-triazole
CID 54111576
5-[(Z)-octadec-9-enyl]-1H-1,2,4-triazole
CID 67896261
5-cyclohexa-2,4-dien-1-yl-1H-1,2,4-triazole
CID 69763244
5-pent-3-enyl-1H-1,2,4-triazole
CID 90974039
5-cyclohex-2-en-1-yl-1H-1,2,4-triazole
CID 91378833
5-[(2E,4Z)-octa-2,4-dien-3-yl]-1H-1,2,4-triazole
CID 117662523
5-[(3E)-4-methylhepta-1,3-dien-2-yl]-1H-1,2,4-triazole
CID 124005216
5-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-1H-1,2,4-triazole
CID 124021324
5-heptadec-1-enyl-1H-1,2,4-triazole
CID 130199832
5-but-3-en-2-yl-1H-1,2,4-triazole
CID 138708516
5-[(2Z)-2-ethenylpenta-2,4-dienyl]-1H-1,2,4-triazole
CID 142183457

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylhex-2-ene;5-methyl-1H-1,2,4-triazole?
The IUPAC name of (Z)-3-methylhex-2-ene;5-methyl-1H-1,2,4-triazole (CID 143982726) is (Z)-3-methylhex-2-ene;5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for (Z)-3-methylhex-2-ene;5-methyl-1H-1,2,4-triazole?
The canonical SMILES for (Z)-3-methylhex-2-ene;5-methyl-1H-1,2,4-triazole is C/C=C(/C)CCC.Cc1ncn[nH]1.
What is the InChIKey of (Z)-3-methylhex-2-ene;5-methyl-1H-1,2,4-triazole?
The InChIKey is ADOCGKPLWUCZDJ-YJOCEBFMSA-N. The full InChI is InChI=1S/C7H14.C3H5N3/c1-4-6-7(3)5-2;1-3-4-2-5-6-3/h5H,4,6H2,1-3H3;2H,1H3,(H,4,5,6)/b7-5-;.
What are the key properties of (Z)-3-methylhex-2-ene;5-methyl-1H-1,2,4-triazole?
(Z)-3-methylhex-2-ene;5-methyl-1H-1,2,4-triazole has a molecular weight of 181.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylhex-2-ene;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 143982726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).