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

C8H11ClN4 — CID 18716653

IUPAC7-chloro-6-methyl-3-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1[nH]n2c(C(C)C)nnc2c1Cl
InChIInChI=1S/C8H11ClN4/c1-4(2)7-10-11-8-6(9)5(3)12-13(7)8/h4,12H,1-3H3
InChIKeyWNWYHQPKYHMEFI-UHFFFAOYSA-N
MW198.66 g/mol
LogP2.14
Rot. Bonds1

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

7-chloro-6-methyl-3-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazole (PubChem CID 18716653) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is 7-chloro-6-methyl-3-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

Compound Name7-chloro-6-methyl-3-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazole
PubChem CID18716653
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name7-chloro-6-methyl-3-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazole
SMILESCc1[nH]n2c(C(C)C)nnc2c1Cl
InChIInChI=1S/C8H11ClN4/c1-4(2)7-10-11-8-6(9)5(3)12-13(7)8/h4,12H,1-3H3
InChIKeyWNWYHQPKYHMEFI-UHFFFAOYSA-N
XLogP2.14
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methyl-3-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The IUPAC name of 7-chloro-6-methyl-3-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazole (CID 18716653) is 7-chloro-6-methyl-3-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazole.
What is the SMILES notation for 7-chloro-6-methyl-3-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The canonical SMILES for 7-chloro-6-methyl-3-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazole is Cc1[nH]n2c(C(C)C)nnc2c1Cl.
What is the InChIKey of 7-chloro-6-methyl-3-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazole?
The InChIKey is WNWYHQPKYHMEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4/c1-4(2)7-10-11-8-6(9)5(3)12-13(7)8/h4,12H,1-3H3.
What are the key properties of 7-chloro-6-methyl-3-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazole?
7-chloro-6-methyl-3-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 198.66 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methyl-3-propan-2-yl-5H-pyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 18716653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).