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

C8H12ClN3 — CID 71756638

IUPAC3,5-dicyclopropyl-1H-1,2,4-triazole;hydrochloride
SMILESC1CC1c1n[nH]c(C2CC2)n1.Cl
InChIInChI=1S/C8H11N3.ClH/c1-2-5(1)7-9-8(11-10-7)6-3-4-6;/h5-6H,1-4H2,(H,9,10,11);1H
InChIKeyNXVACEAPEPDFHT-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.98
Rot. Bonds2

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

3,5-dicyclopropyl-1H-1,2,4-triazole;hydrochloride (PubChem CID 71756638) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 3,5-dicyclopropyl-1H-1,2,4-triazole;hydrochloride.

Molecular Properties

Compound Name3,5-dicyclopropyl-1H-1,2,4-triazole;hydrochloride
PubChem CID71756638
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name3,5-dicyclopropyl-1H-1,2,4-triazole;hydrochloride
SMILESC1CC1c1n[nH]c(C2CC2)n1.Cl
InChIInChI=1S/C8H11N3.ClH/c1-2-5(1)7-9-8(11-10-7)6-3-4-6;/h5-6H,1-4H2,(H,9,10,11);1H
InChIKeyNXVACEAPEPDFHT-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.98
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;hydrochloride?
The IUPAC name of 3,5-dicyclopropyl-1H-1,2,4-triazole;hydrochloride (CID 71756638) is 3,5-dicyclopropyl-1H-1,2,4-triazole;hydrochloride.
What is the SMILES notation for 3,5-dicyclopropyl-1H-1,2,4-triazole;hydrochloride?
The canonical SMILES for 3,5-dicyclopropyl-1H-1,2,4-triazole;hydrochloride is C1CC1c1n[nH]c(C2CC2)n1.Cl.
What is the InChIKey of 3,5-dicyclopropyl-1H-1,2,4-triazole;hydrochloride?
The InChIKey is NXVACEAPEPDFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.ClH/c1-2-5(1)7-9-8(11-10-7)6-3-4-6;/h5-6H,1-4H2,(H,9,10,11);1H.
What are the key properties of 3,5-dicyclopropyl-1H-1,2,4-triazole;hydrochloride?
3,5-dicyclopropyl-1H-1,2,4-triazole;hydrochloride has a molecular weight of 185.66 g/mol, XLogP of 1.98, 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;hydrochloride is sourced from PubChem (CID 71756638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).