6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione

C20H17Cl2N5O3 — CID 155268389

IUPAC6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESCC(C)c1c[nH]c2ccc(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)cc3Cl)cc12
InChIInChI=1S/C20H17Cl2N5O3/c1-9(2)13-8-24-16-4-3-11(7-12(13)16)30-17-14(21)5-10(6-15(17)22)27-20(29)25-19(28)18(23)26-27/h3-9,24H,1-2H3,(H2,23,26)(H,25,28,29)
InChIKeyKVZDGVOEWTWBIW-UHFFFAOYSA-N
MW446.29 g/mol
LogP4.21
Rot. Bonds4

About 6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione

6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione (PubChem CID 155268389) has the molecular formula C20H17Cl2N5O3 and a molecular weight of 446.29 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
PubChem CID155268389
Molecular FormulaC20H17Cl2N5O3
Molecular Weight446.29 g/mol
Exact Mass445.07
IUPAC Name6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESCC(C)c1c[nH]c2ccc(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)cc3Cl)cc12
InChIInChI=1S/C20H17Cl2N5O3/c1-9(2)13-8-24-16-4-3-11(7-12(13)16)30-17-14(21)5-10(6-15(17)22)27-20(29)25-19(28)18(23)26-27/h3-9,24H,1-2H3,(H2,23,26)(H,25,28,29)
InChIKeyKVZDGVOEWTWBIW-UHFFFAOYSA-N
XLogP4.21
TPSA118.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.29
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione (CID 155268389) is 6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione is CC(C)c1c[nH]c2ccc(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)cc3Cl)cc12.
What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione?
The InChIKey is KVZDGVOEWTWBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5O3/c1-9(2)13-8-24-16-4-3-11(7-12(13)16)30-17-14(21)5-10(6-15(17)22)27-20(29)25-19(28)18(23)26-27/h3-9,24H,1-2H3,(H2,23,26)(H,25,28,29).
What are the key properties of 6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione?
6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione has a molecular weight of 446.29 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3,5-dichloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 155268389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).