3-(3-chlorophenyl)-5-methyl-7-propylpyrazolo[4,5-d]triazin-4-one

C14H14ClN5O — CID 57401164

IUPAC3-(3-chlorophenyl)-5-methyl-7-propylpyrazolo[4,5-d]triazin-4-one
SMILESCCCc1nn(C)c2c(=O)n(-c3cccc(Cl)c3)nnc12
InChIInChI=1S/C14H14ClN5O/c1-3-5-11-12-13(19(2)17-11)14(21)20(18-16-12)10-7-4-6-9(15)8-10/h4,6-8H,3,5H2,1-2H3
InChIKeyHXRYDXPIZVEGFV-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.12
Rot. Bonds3

About 3-(3-chlorophenyl)-5-methyl-7-propylpyrazolo[4,5-d]triazin-4-one

3-(3-chlorophenyl)-5-methyl-7-propylpyrazolo[4,5-d]triazin-4-one (PubChem CID 57401164) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-methyl-7-propylpyrazolo[4,5-d]triazin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-methyl-7-propylpyrazolo[4,5-d]triazin-4-one
PubChem CID57401164
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name3-(3-chlorophenyl)-5-methyl-7-propylpyrazolo[4,5-d]triazin-4-one
SMILESCCCc1nn(C)c2c(=O)n(-c3cccc(Cl)c3)nnc12
InChIInChI=1S/C14H14ClN5O/c1-3-5-11-12-13(19(2)17-11)14(21)20(18-16-12)10-7-4-6-9(15)8-10/h4,6-8H,3,5H2,1-2H3
InChIKeyHXRYDXPIZVEGFV-UHFFFAOYSA-N
XLogP2.12
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 850811
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CID 6466864
CID 6466864
CID 1098160
CID 1098160
CID 135832626
CID 135832626
CID 660849
CID 660849
CID 850851
CID 850851
CID 24790547
CID 24790547
CID 136118738
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CID 10634752
CID 10634752

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-methyl-7-propylpyrazolo[4,5-d]triazin-4-one?
The IUPAC name of 3-(3-chlorophenyl)-5-methyl-7-propylpyrazolo[4,5-d]triazin-4-one (CID 57401164) is 3-(3-chlorophenyl)-5-methyl-7-propylpyrazolo[4,5-d]triazin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-5-methyl-7-propylpyrazolo[4,5-d]triazin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-5-methyl-7-propylpyrazolo[4,5-d]triazin-4-one is CCCc1nn(C)c2c(=O)n(-c3cccc(Cl)c3)nnc12.
What is the InChIKey of 3-(3-chlorophenyl)-5-methyl-7-propylpyrazolo[4,5-d]triazin-4-one?
The InChIKey is HXRYDXPIZVEGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-3-5-11-12-13(19(2)17-11)14(21)20(18-16-12)10-7-4-6-9(15)8-10/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-5-methyl-7-propylpyrazolo[4,5-d]triazin-4-one?
3-(3-chlorophenyl)-5-methyl-7-propylpyrazolo[4,5-d]triazin-4-one has a molecular weight of 303.75 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-methyl-7-propylpyrazolo[4,5-d]triazin-4-one is sourced from PubChem (CID 57401164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).