3-cyclopropyl-4,5-dipropyl-1,2,4-triazole

C11H19N3 — CID 144754875

IUPAC3-cyclopropyl-4,5-dipropyl-1,2,4-triazole
SMILESCCCc1nnc(C2CC2)n1CCC
InChIInChI=1S/C11H19N3/c1-3-5-10-12-13-11(9-6-7-9)14(10)8-4-2/h9H,3-8H2,1-2H3
InChIKeyTWZXWARHXNMJOH-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.52
Rot. Bonds5

About 3-cyclopropyl-4,5-dipropyl-1,2,4-triazole

3-cyclopropyl-4,5-dipropyl-1,2,4-triazole (PubChem CID 144754875) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-cyclopropyl-4,5-dipropyl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-4,5-dipropyl-1,2,4-triazole
PubChem CID144754875
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-cyclopropyl-4,5-dipropyl-1,2,4-triazole
SMILESCCCc1nnc(C2CC2)n1CCC
InChIInChI=1S/C11H19N3/c1-3-5-10-12-13-11(9-6-7-9)14(10)8-4-2/h9H,3-8H2,1-2H3
InChIKeyTWZXWARHXNMJOH-UHFFFAOYSA-N
XLogP2.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-5-cyclopropyl-4-propyl-1,2,4-triazole
CID 115398261
3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole
CID 63384392
3-(chloromethyl)-4,5-dipropyl-1,2,4-triazole
CID 115398299
3-(7-bicyclo[4.1.0]heptanyl)-5-(chloromethyl)-4-propyl-1,2,4-triazole
CID 115398353
3-(chloromethyl)-5-(oxolan-2-yl)-4-propyl-1,2,4-triazole
CID 115398211
3-cyclopropyl-4-propyl-1H-1,2,4-triazol-5-one
CID 178200614
[5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593751
[5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593700
3-(bromomethyl)-5-(2,2-dimethylcyclohexyl)-4-propyl-1,2,4-triazole
CID 107186407
3-(bromomethyl)-4-propyl-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole
CID 115399755
[5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594183
3-(chloromethyl)-5-cyclopentyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115397530

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4,5-dipropyl-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-4,5-dipropyl-1,2,4-triazole (CID 144754875) is 3-cyclopropyl-4,5-dipropyl-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-4,5-dipropyl-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-4,5-dipropyl-1,2,4-triazole is CCCc1nnc(C2CC2)n1CCC.
What is the InChIKey of 3-cyclopropyl-4,5-dipropyl-1,2,4-triazole?
The InChIKey is TWZXWARHXNMJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-5-10-12-13-11(9-6-7-9)14(10)8-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 3-cyclopropyl-4,5-dipropyl-1,2,4-triazole?
3-cyclopropyl-4,5-dipropyl-1,2,4-triazole has a molecular weight of 193.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4,5-dipropyl-1,2,4-triazole is sourced from PubChem (CID 144754875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).