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

C9H15N3 — CID 138485688

IUPAC3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole
SMILESC/C=C\C(C)n1nc(C)nc1C
InChIInChI=1S/C9H15N3/c1-5-6-7(2)12-9(4)10-8(3)11-12/h5-7H,1-4H3/b6-5-
InChIKeyIXBHYSLQVLFKBG-WAYWQWQTSA-N
MW165.24 g/mol
LogP2.03
Rot. Bonds2

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

3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole (PubChem CID 138485688) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole
PubChem CID138485688
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole
SMILESC/C=C\C(C)n1nc(C)nc1C
InChIInChI=1S/C9H15N3/c1-5-6-7(2)12-9(4)10-8(3)11-12/h5-7H,1-4H3/b6-5-
InChIKeyIXBHYSLQVLFKBG-WAYWQWQTSA-N
XLogP2.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole?
The IUPAC name of 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole (CID 138485688) is 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole.
What is the SMILES notation for 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole?
The canonical SMILES for 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole is C/C=C\C(C)n1nc(C)nc1C.
What is the InChIKey of 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole?
The InChIKey is IXBHYSLQVLFKBG-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H15N3/c1-5-6-7(2)12-9(4)10-8(3)11-12/h5-7H,1-4H3/b6-5-.
What are the key properties of 3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole?
3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 2.03, 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 is sourced from PubChem (CID 138485688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).