3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole

C9H15N3 — CID 57189602

IUPAC3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
SMILESC/C=C/c1nnc(CC)n1CC
InChIInChI=1S/C9H15N3/c1-4-7-9-11-10-8(5-2)12(9)6-3/h4,7H,5-6H2,1-3H3/b7-4+
InChIKeyKCVMHMVCNKZHPS-QPJJXVBHSA-N
MW165.24 g/mol
LogP1.89
Rot. Bonds3

About 3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole

3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole (PubChem CID 57189602) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
PubChem CID57189602
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
SMILESC/C=C/c1nnc(CC)n1CC
InChIInChI=1S/C9H15N3/c1-4-7-9-11-10-8(5-2)12(9)6-3/h4,7H,5-6H2,1-3H3/b7-4+
InChIKeyKCVMHMVCNKZHPS-QPJJXVBHSA-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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Related Compounds

4-Methyl-3-prop-2-enyl-5-(trifluoromethyl)-1,2,4-triazole
CID 68912308
4-Ethyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole
CID 163390480
1,5-Dimethyl-4-prop-2-enyl-1,2,4-triazol-4-ium-3-thiolate
CID 14495490
3-Prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole
CID 143706140
3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 20650412
5H-pyrrolo[2,1-c][1,2,4]triazole
CID 22630679
3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 58783642
5-But-3-enyl-1,3,4-trimethyl-1,2,4-triazol-4-ium
CID 58997902
1,4-dimethyl-5-[(E)-prop-1-enyl]-1,2,4-triazol-4-ium-3-thiolate
CID 58997930
3-Methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59451901
3-tert-butyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 59825824
3,4-Bis(prop-2-enyl)-1,2,4-triazole
CID 67685086

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole?
The IUPAC name of 3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole (CID 57189602) is 3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole.
What is the SMILES notation for 3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole?
The canonical SMILES for 3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole is C/C=C/c1nnc(CC)n1CC.
What is the InChIKey of 3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole?
The InChIKey is KCVMHMVCNKZHPS-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-7-9-11-10-8(5-2)12(9)6-3/h4,7H,5-6H2,1-3H3/b7-4+.
What are the key properties of 3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole?
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-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 3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 57189602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).