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

C8H11N3 — CID 61337728

IUPAC3,5-dicyclopropyl-1H-1,2,4-triazole
SMILESC1CC1c1n[nH]c(C2CC2)n1
InChIInChI=1S/C8H11N3/c1-2-5(1)7-9-8(11-10-7)6-3-4-6/h5-6H,1-4H2,(H,9,10,11)
InChIKeyMJQMXMPFQBZROO-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.56
Rot. Bonds2

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

3,5-dicyclopropyl-1H-1,2,4-triazole (PubChem CID 61337728) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3,5-dicyclopropyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dicyclopropyl-1H-1,2,4-triazole
PubChem CID61337728
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3,5-dicyclopropyl-1H-1,2,4-triazole
SMILESC1CC1c1n[nH]c(C2CC2)n1
InChIInChI=1S/C8H11N3/c1-2-5(1)7-9-8(11-10-7)6-3-4-6/h5-6H,1-4H2,(H,9,10,11)
InChIKeyMJQMXMPFQBZROO-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dicyclopropyl-1H-1,2,4-triazole?
The IUPAC name of 3,5-dicyclopropyl-1H-1,2,4-triazole (CID 61337728) is 3,5-dicyclopropyl-1H-1,2,4-triazole.
What is the SMILES notation for 3,5-dicyclopropyl-1H-1,2,4-triazole?
The canonical SMILES for 3,5-dicyclopropyl-1H-1,2,4-triazole is C1CC1c1n[nH]c(C2CC2)n1.
What is the InChIKey of 3,5-dicyclopropyl-1H-1,2,4-triazole?
The InChIKey is MJQMXMPFQBZROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-5(1)7-9-8(11-10-7)6-3-4-6/h5-6H,1-4H2,(H,9,10,11).
What are the key properties of 3,5-dicyclopropyl-1H-1,2,4-triazole?
3,5-dicyclopropyl-1H-1,2,4-triazole has a molecular weight of 149.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dicyclopropyl-1H-1,2,4-triazole is sourced from PubChem (CID 61337728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).