N-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide

C19H16ClN5O — CID 6416985

IUPACN-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCC(C)n1c2ccc(Cl)cc2c2nnc(NC(=O)c3ccccc3)nc21
InChIInChI=1S/C19H16ClN5O/c1-11(2)25-15-9-8-13(20)10-14(15)16-17(25)21-19(24-23-16)22-18(26)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,22,24,26)
InChIKeyAVBVOUSUKOZKDD-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.47
Rot. Bonds3

About N-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide

N-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (PubChem CID 6416985) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is N-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.

Molecular Properties

Compound NameN-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
PubChem CID6416985
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC NameN-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide
SMILESCC(C)n1c2ccc(Cl)cc2c2nnc(NC(=O)c3ccccc3)nc21
InChIInChI=1S/C19H16ClN5O/c1-11(2)25-15-9-8-13(20)10-14(15)16-17(25)21-19(24-23-16)22-18(26)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,22,24,26)
InChIKeyAVBVOUSUKOZKDD-UHFFFAOYSA-N
XLogP4.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The IUPAC name of N-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide (CID 6416985) is N-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide.
What is the SMILES notation for N-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The canonical SMILES for N-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is CC(C)n1c2ccc(Cl)cc2c2nnc(NC(=O)c3ccccc3)nc21.
What is the InChIKey of N-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
The InChIKey is AVBVOUSUKOZKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-11(2)25-15-9-8-13(20)10-14(15)16-17(25)21-19(24-23-16)22-18(26)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,22,24,26).
What are the key properties of N-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide?
N-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide has a molecular weight of 365.82 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide is sourced from PubChem (CID 6416985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).