3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

C18H22N6O — CID 169414815

IUPAC3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCCCn1ncnc1-c1cccc(C(=O)Nc2c(C)nn(C)c2C)c1
InChIInChI=1S/C18H22N6O/c1-5-9-24-17(19-11-20-24)14-7-6-8-15(10-14)18(25)21-16-12(2)22-23(4)13(16)3/h6-8,10-11H,5,9H2,1-4H3,(H,21,25)
InChIKeyCVDHWWQNRPTVSZ-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.96
Rot. Bonds5

About 3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (PubChem CID 169414815) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
PubChem CID169414815
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCCCn1ncnc1-c1cccc(C(=O)Nc2c(C)nn(C)c2C)c1
InChIInChI=1S/C18H22N6O/c1-5-9-24-17(19-11-20-24)14-7-6-8-15(10-14)18(25)21-16-12(2)22-23(4)13(16)3/h6-8,10-11H,5,9H2,1-4H3,(H,21,25)
InChIKeyCVDHWWQNRPTVSZ-UHFFFAOYSA-N
XLogP2.96
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The IUPAC name of 3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CID 169414815) is 3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is CCCn1ncnc1-c1cccc(C(=O)Nc2c(C)nn(C)c2C)c1.
What is the InChIKey of 3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The InChIKey is CVDHWWQNRPTVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-5-9-24-17(19-11-20-24)14-7-6-8-15(10-14)18(25)21-16-12(2)22-23(4)13(16)3/h6-8,10-11H,5,9H2,1-4H3,(H,21,25).
What are the key properties of 3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide has a molecular weight of 338.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propyl-1,2,4-triazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 169414815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).