1,4-diethyl-5-[(Z)-prop-1-enyl]triazole

C9H15N3 — CID 135275810

IUPAC1,4-diethyl-5-[(Z)-prop-1-enyl]triazole
SMILESC/C=C\c1c(CC)nnn1CC
InChIInChI=1S/C9H15N3/c1-4-7-9-8(5-2)10-11-12(9)6-3/h4,7H,5-6H2,1-3H3/b7-4-
InChIKeyGZFGOZPCMSXISM-DAXSKMNVSA-N
MW165.24 g/mol
LogP1.89
Rot. Bonds3

About 1,4-diethyl-5-[(Z)-prop-1-enyl]triazole

1,4-diethyl-5-[(Z)-prop-1-enyl]triazole (PubChem CID 135275810) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1,4-diethyl-5-[(Z)-prop-1-enyl]triazole.

Molecular Properties

Compound Name1,4-diethyl-5-[(Z)-prop-1-enyl]triazole
PubChem CID135275810
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1,4-diethyl-5-[(Z)-prop-1-enyl]triazole
SMILESC/C=C\c1c(CC)nnn1CC
InChIInChI=1S/C9H15N3/c1-4-7-9-8(5-2)10-11-12(9)6-3/h4,7H,5-6H2,1-3H3/b7-4-
InChIKeyGZFGOZPCMSXISM-DAXSKMNVSA-N
XLogP1.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-5-[(Z)-prop-1-enyl]triazole?
The IUPAC name of 1,4-diethyl-5-[(Z)-prop-1-enyl]triazole (CID 135275810) is 1,4-diethyl-5-[(Z)-prop-1-enyl]triazole.
What is the SMILES notation for 1,4-diethyl-5-[(Z)-prop-1-enyl]triazole?
The canonical SMILES for 1,4-diethyl-5-[(Z)-prop-1-enyl]triazole is C/C=C\c1c(CC)nnn1CC.
What is the InChIKey of 1,4-diethyl-5-[(Z)-prop-1-enyl]triazole?
The InChIKey is GZFGOZPCMSXISM-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-7-9-8(5-2)10-11-12(9)6-3/h4,7H,5-6H2,1-3H3/b7-4-.
What are the key properties of 1,4-diethyl-5-[(Z)-prop-1-enyl]triazole?
1,4-diethyl-5-[(Z)-prop-1-enyl]triazole has a molecular weight of 165.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-5-[(Z)-prop-1-enyl]triazole is sourced from PubChem (CID 135275810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).