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

C8H15N3 — CID 11390288

IUPAC3,5-dipropyl-1H-1,2,4-triazole
SMILESCCCc1n[nH]c(CCC)n1
InChIInChI=1S/C8H15N3/c1-3-5-7-9-8(6-4-2)11-10-7/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyHHRGYXSCFFIHKB-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.71
Rot. Bonds4

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

3,5-dipropyl-1H-1,2,4-triazole (PubChem CID 11390288) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3,5-dipropyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dipropyl-1H-1,2,4-triazole
PubChem CID11390288
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3,5-dipropyl-1H-1,2,4-triazole
SMILESCCCc1n[nH]c(CCC)n1
InChIInChI=1S/C8H15N3/c1-3-5-7-9-8(6-4-2)11-10-7/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyHHRGYXSCFFIHKB-UHFFFAOYSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dipropyl-1H-1,2,4-triazole?
The IUPAC name of 3,5-dipropyl-1H-1,2,4-triazole (CID 11390288) is 3,5-dipropyl-1H-1,2,4-triazole.
What is the SMILES notation for 3,5-dipropyl-1H-1,2,4-triazole?
The canonical SMILES for 3,5-dipropyl-1H-1,2,4-triazole is CCCc1n[nH]c(CCC)n1.
What is the InChIKey of 3,5-dipropyl-1H-1,2,4-triazole?
The InChIKey is HHRGYXSCFFIHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-5-7-9-8(6-4-2)11-10-7/h3-6H2,1-2H3,(H,9,10,11).
What are the key properties of 3,5-dipropyl-1H-1,2,4-triazole?
3,5-dipropyl-1H-1,2,4-triazole has a molecular weight of 153.23 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipropyl-1H-1,2,4-triazole is sourced from PubChem (CID 11390288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).