1-deca-2,9-dienyl-1,2,4-triazole

C12H19N3 — CID 57203582

IUPAC1-deca-2,9-dienyl-1,2,4-triazole
SMILESC=CCCCCCC=CCn1cncn1
InChIInChI=1S/C12H19N3/c1-2-3-4-5-6-7-8-9-10-15-12-13-11-14-15/h2,8-9,11-12H,1,3-7,10H2
InChIKeyUGFJGFXNFGTKAX-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.97
Rot. Bonds8

About 1-deca-2,9-dienyl-1,2,4-triazole

1-deca-2,9-dienyl-1,2,4-triazole (PubChem CID 57203582) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-deca-2,9-dienyl-1,2,4-triazole.

Molecular Properties

Compound Name1-deca-2,9-dienyl-1,2,4-triazole
PubChem CID57203582
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-deca-2,9-dienyl-1,2,4-triazole
SMILESC=CCCCCCC=CCn1cncn1
InChIInChI=1S/C12H19N3/c1-2-3-4-5-6-7-8-9-10-15-12-13-11-14-15/h2,8-9,11-12H,1,3-7,10H2
InChIKeyUGFJGFXNFGTKAX-UHFFFAOYSA-N
XLogP2.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Pent-3-en-2-yl-1,2,4-triazole
CID 123592496
1-[(2Z,4Z)-hepta-2,4-dienyl]-1,2,4-triazole
CID 126590348
1-Hex-2-enyl-1,2,4-triazole
CID 140996416
Ethane;1-[(2-methylcyclohexa-1,5-dien-1-yl)methyl]-1,2,4-triazole
CID 141908280
(2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine
CID 143922029
1-[(3Z,5E)-6-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]-1,2,4-triazole
CID 145528029
1-Cyclohex-2-en-1-yl-1,2,4-triazole
CID 13491239
1-[(2E)-deca-2,9-dienyl]-1,2,4-triazole
CID 19745058
1-Hept-6-enyl-1,2,4-triazole
CID 107010196
1-[(1R)-cyclohexa-2,4-dien-1-yl]-1,2,4-triazole
CID 124638455
1-[(1S)-cyclohexa-2,4-dien-1-yl]-1,2,4-triazole
CID 124638456
1-[(2Z)-cyclooct-2-en-1-yl]-1,2,4-triazole
CID 133633822

Frequently Asked Questions

What is the IUPAC name of 1-deca-2,9-dienyl-1,2,4-triazole?
The IUPAC name of 1-deca-2,9-dienyl-1,2,4-triazole (CID 57203582) is 1-deca-2,9-dienyl-1,2,4-triazole.
What is the SMILES notation for 1-deca-2,9-dienyl-1,2,4-triazole?
The canonical SMILES for 1-deca-2,9-dienyl-1,2,4-triazole is C=CCCCCCC=CCn1cncn1.
What is the InChIKey of 1-deca-2,9-dienyl-1,2,4-triazole?
The InChIKey is UGFJGFXNFGTKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-3-4-5-6-7-8-9-10-15-12-13-11-14-15/h2,8-9,11-12H,1,3-7,10H2.
What are the key properties of 1-deca-2,9-dienyl-1,2,4-triazole?
1-deca-2,9-dienyl-1,2,4-triazole has a molecular weight of 205.31 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deca-2,9-dienyl-1,2,4-triazole is sourced from PubChem (CID 57203582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).