5-chloro-5-methyl-1,6-dihydropyrazolo[1,5-c]triazole

C5H7ClN4 — CID 70123824

IUPAC5-chloro-5-methyl-1,6-dihydropyrazolo[1,5-c]triazole
SMILESCC1(Cl)C=C2C=NNN2N1
InChIInChI=1S/C5H7ClN4/c1-5(6)2-4-3-7-9-10(4)8-5/h2-3,8-9H,1H3
InChIKeyXACALHWVKHFEHP-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.15
Rot. Bonds

About 5-chloro-5-methyl-1,6-dihydropyrazolo[1,5-c]triazole

5-chloro-5-methyl-1,6-dihydropyrazolo[1,5-c]triazole (PubChem CID 70123824) has the molecular formula C5H7ClN4 and a molecular weight of 158.59 g/mol. Its IUPAC name is 5-chloro-5-methyl-1,6-dihydropyrazolo[1,5-c]triazole.

Molecular Properties

Compound Name5-chloro-5-methyl-1,6-dihydropyrazolo[1,5-c]triazole
PubChem CID70123824
Molecular FormulaC5H7ClN4
Molecular Weight158.59 g/mol
Exact Mass158.04
IUPAC Name5-chloro-5-methyl-1,6-dihydropyrazolo[1,5-c]triazole
SMILESCC1(Cl)C=C2C=NNN2N1
InChIInChI=1S/C5H7ClN4/c1-5(6)2-4-3-7-9-10(4)8-5/h2-3,8-9H,1H3
InChIKeyXACALHWVKHFEHP-UHFFFAOYSA-N
XLogP0.15
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-5-methyl-1,6-dihydropyrazolo[1,5-c]triazole?
The IUPAC name of 5-chloro-5-methyl-1,6-dihydropyrazolo[1,5-c]triazole (CID 70123824) is 5-chloro-5-methyl-1,6-dihydropyrazolo[1,5-c]triazole.
What is the SMILES notation for 5-chloro-5-methyl-1,6-dihydropyrazolo[1,5-c]triazole?
The canonical SMILES for 5-chloro-5-methyl-1,6-dihydropyrazolo[1,5-c]triazole is CC1(Cl)C=C2C=NNN2N1.
What is the InChIKey of 5-chloro-5-methyl-1,6-dihydropyrazolo[1,5-c]triazole?
The InChIKey is XACALHWVKHFEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4/c1-5(6)2-4-3-7-9-10(4)8-5/h2-3,8-9H,1H3.
What are the key properties of 5-chloro-5-methyl-1,6-dihydropyrazolo[1,5-c]triazole?
5-chloro-5-methyl-1,6-dihydropyrazolo[1,5-c]triazole has a molecular weight of 158.59 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-5-methyl-1,6-dihydropyrazolo[1,5-c]triazole is sourced from PubChem (CID 70123824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).