7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole

C6H7ClN4 — CID 14344173

IUPAC7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1[nH]n2c(C)nnc2c1Cl
InChIInChI=1S/C6H7ClN4/c1-3-5(7)6-9-8-4(2)11(6)10-3/h10H,1-2H3
InChIKeyCHMSBJPNTJYZGW-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.33
Rot. Bonds

About 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole

7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole (PubChem CID 14344173) has the molecular formula C6H7ClN4 and a molecular weight of 170.60 g/mol. Its IUPAC name is 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole
PubChem CID14344173
Molecular FormulaC6H7ClN4
Molecular Weight170.60 g/mol
Exact Mass170.04
IUPAC Name7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1[nH]n2c(C)nnc2c1Cl
InChIInChI=1S/C6H7ClN4/c1-3-5(7)6-9-8-4(2)11(6)10-3/h10H,1-2H3
InChIKeyCHMSBJPNTJYZGW-UHFFFAOYSA-N
XLogP1.33
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole (CID 14344173) is 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole is Cc1[nH]n2c(C)nnc2c1Cl.
What is the InChIKey of 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is CHMSBJPNTJYZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4/c1-3-5(7)6-9-8-4(2)11(6)10-3/h10H,1-2H3.
What are the key properties of 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole?
7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 170.60 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 14344173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).