3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole

C22H20N6 — CID 59010755

IUPAC3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole
SMILESCCn1c2ccccc2c2nnc(-n3nc(C)c(-c4ccccc4)c3C)nc21
InChIInChI=1S/C22H20N6/c1-4-27-18-13-9-8-12-17(18)20-21(27)23-22(25-24-20)28-15(3)19(14(2)26-28)16-10-6-5-7-11-16/h5-13H,4H2,1-3H3
InChIKeyUZMARXQNIXEBSB-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.47
Rot. Bonds3

About 3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole

3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole (PubChem CID 59010755) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole.

Molecular Properties

Compound Name3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole
PubChem CID59010755
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole
SMILESCCn1c2ccccc2c2nnc(-n3nc(C)c(-c4ccccc4)c3C)nc21
InChIInChI=1S/C22H20N6/c1-4-27-18-13-9-8-12-17(18)20-21(27)23-22(25-24-20)28-15(3)19(14(2)26-28)16-10-6-5-7-11-16/h5-13H,4H2,1-3H3
InChIKeyUZMARXQNIXEBSB-UHFFFAOYSA-N
XLogP4.47
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole?
The IUPAC name of 3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole (CID 59010755) is 3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole.
What is the SMILES notation for 3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole?
The canonical SMILES for 3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole is CCn1c2ccccc2c2nnc(-n3nc(C)c(-c4ccccc4)c3C)nc21.
What is the InChIKey of 3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole?
The InChIKey is UZMARXQNIXEBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-4-27-18-13-9-8-12-17(18)20-21(27)23-22(25-24-20)28-15(3)19(14(2)26-28)16-10-6-5-7-11-16/h5-13H,4H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole?
3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole has a molecular weight of 368.44 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-ethyl-[1,2,4]triazino[5,6-b]indole is sourced from PubChem (CID 59010755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).