7-chloro-N,N-diethylpyrazolo[1,5-b][1,2,4]triazol-1-amine

C8H12ClN5 — CID 69459470

IUPAC7-chloro-N,N-diethylpyrazolo[1,5-b][1,2,4]triazol-1-amine
SMILESCCN(CC)n1cnn2ncc(Cl)c12
InChIInChI=1S/C8H12ClN5/c1-3-12(4-2)13-6-11-14-8(13)7(9)5-10-14/h5-6H,3-4H2,1-2H3
InChIKeyYGMWIBRHNNJVJE-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.16
Rot. Bonds3

About 7-chloro-N,N-diethylpyrazolo[1,5-b][1,2,4]triazol-1-amine

7-chloro-N,N-diethylpyrazolo[1,5-b][1,2,4]triazol-1-amine (PubChem CID 69459470) has the molecular formula C8H12ClN5 and a molecular weight of 213.67 g/mol. Its IUPAC name is 7-chloro-N,N-diethylpyrazolo[1,5-b][1,2,4]triazol-1-amine.

Molecular Properties

Compound Name7-chloro-N,N-diethylpyrazolo[1,5-b][1,2,4]triazol-1-amine
PubChem CID69459470
Molecular FormulaC8H12ClN5
Molecular Weight213.67 g/mol
Exact Mass213.08
IUPAC Name7-chloro-N,N-diethylpyrazolo[1,5-b][1,2,4]triazol-1-amine
SMILESCCN(CC)n1cnn2ncc(Cl)c12
InChIInChI=1S/C8H12ClN5/c1-3-12(4-2)13-6-11-14-8(13)7(9)5-10-14/h5-6H,3-4H2,1-2H3
InChIKeyYGMWIBRHNNJVJE-UHFFFAOYSA-N
XLogP1.16
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,N-diethylpyrazolo[1,5-b][1,2,4]triazol-1-amine?
The IUPAC name of 7-chloro-N,N-diethylpyrazolo[1,5-b][1,2,4]triazol-1-amine (CID 69459470) is 7-chloro-N,N-diethylpyrazolo[1,5-b][1,2,4]triazol-1-amine.
What is the SMILES notation for 7-chloro-N,N-diethylpyrazolo[1,5-b][1,2,4]triazol-1-amine?
The canonical SMILES for 7-chloro-N,N-diethylpyrazolo[1,5-b][1,2,4]triazol-1-amine is CCN(CC)n1cnn2ncc(Cl)c12.
What is the InChIKey of 7-chloro-N,N-diethylpyrazolo[1,5-b][1,2,4]triazol-1-amine?
The InChIKey is YGMWIBRHNNJVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN5/c1-3-12(4-2)13-6-11-14-8(13)7(9)5-10-14/h5-6H,3-4H2,1-2H3.
What are the key properties of 7-chloro-N,N-diethylpyrazolo[1,5-b][1,2,4]triazol-1-amine?
7-chloro-N,N-diethylpyrazolo[1,5-b][1,2,4]triazol-1-amine has a molecular weight of 213.67 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,N-diethylpyrazolo[1,5-b][1,2,4]triazol-1-amine is sourced from PubChem (CID 69459470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).