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

C18H18ClN5O2 — CID 46366222

IUPACN-[(4-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide
SMILESO=C(Cn1ncn2nc3c(c2c1=O)CCCC3)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN5O2/c19-13-7-5-12(6-8-13)9-20-16(25)10-23-18(26)17-14-3-1-2-4-15(14)22-24(17)11-21-23/h5-8,11H,1-4,9-10H2,(H,20,25)
InChIKeyDPVVRQUWFDMMDM-UHFFFAOYSA-N
MW371.83 g/mol
LogP1.74
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide (PubChem CID 46366222) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide
PubChem CID46366222
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide
SMILESO=C(Cn1ncn2nc3c(c2c1=O)CCCC3)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN5O2/c19-13-7-5-12(6-8-13)9-20-16(25)10-23-18(26)17-14-3-1-2-4-15(14)22-24(17)11-21-23/h5-8,11H,1-4,9-10H2,(H,20,25)
InChIKeyDPVVRQUWFDMMDM-UHFFFAOYSA-N
XLogP1.74
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[(4-chlorophenyl)methyl]-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)propanamide
CID 91890268
N-[(4-methylphenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890117
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-(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-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 6623376
N-[(2-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)acetamide
CID 91890095
N-[(4-chlorophenyl)methyl]-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279329
N-[(4-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513131
N-[(4-ethylphenyl)methyl]-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl)methyl]benzamide
CID 91890317
3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2394049
2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 20892238

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide (CID 46366222) is N-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide is O=C(Cn1ncn2nc3c(c2c1=O)CCCC3)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide?
The InChIKey is DPVVRQUWFDMMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c19-13-7-5-12(6-8-13)9-20-16(25)10-23-18(26)17-14-3-1-2-4-15(14)22-24(17)11-21-23/h5-8,11H,1-4,9-10H2,(H,20,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide?
N-[(4-chlorophenyl)methyl]-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 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(1-oxo-7,8,9,10-tetrahydro-[1,2,4]triazino[4,5-b]indazol-2-yl)acetamide is sourced from PubChem (CID 46366222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).