N-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide

C18H18ClN5O2 — CID 46366209

IUPACN-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1ncn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C18H18ClN5O2/c1-11-6-7-12(19)8-15(11)21-16(25)9-23-18(26)17-13-4-2-3-5-14(13)22-24(17)10-20-23/h6-8,10H,2-5,9H2,1H3,(H,21,25)
InChIKeyUDAVMDAMPYYHAJ-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.37
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide

N-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide (PubChem CID 46366209) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide
PubChem CID46366209
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1ncn2nc3c(c2c1=O)CCCC3
InChIInChI=1S/C18H18ClN5O2/c1-11-6-7-12(19)8-15(11)21-16(25)9-23-18(26)17-13-4-2-3-5-14(13)22-24(17)10-20-23/h6-8,10H,2-5,9H2,1H3,(H,21,25)
InChIKeyUDAVMDAMPYYHAJ-UHFFFAOYSA-N
XLogP2.37
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide
CID 46366203
N-(5-chloro-2-methylphenyl)-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890247
N-(2,5-dimethoxyphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide
CID 27441053
N-(4-chloro-2-fluorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 146078891
N-(5-chloro-2-methylphenyl)-2-(5-methylpyrazol-1-yl)acetamide
CID 19522694
N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 46276054
N-(2-chlorophenyl)-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91906900
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 75466080
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2708221

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide (CID 46366209) is N-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide is Cc1ccc(Cl)cc1NC(=O)Cn1ncn2nc3c(c2c1=O)CCCC3.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide?
The InChIKey is UDAVMDAMPYYHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-11-6-7-12(19)8-15(11)21-16(25)9-23-18(26)17-13-4-2-3-5-14(13)22-24(17)10-20-23/h6-8,10H,2-5,9H2,1H3,(H,21,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide?
N-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide has a molecular weight of 371.83 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide is sourced from PubChem (CID 46366209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).