N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide

C18H13ClN6O2 — CID 1444490

IUPACN-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide
SMILESO=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)Nc1ccccc1Cl
InChIInChI=1S/C18H13ClN6O2/c19-14-8-4-5-9-15(14)21-16(26)11-24-18(27)13-10-20-25(17(13)22-23-24)12-6-2-1-3-7-12/h1-10H,11H2,(H,21,26)
InChIKeyUDNJNVPXVKJICQ-UHFFFAOYSA-N
MW380.80 g/mol
LogP2.27
Rot. Bonds4

About N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide

N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide (PubChem CID 1444490) has the molecular formula C18H13ClN6O2 and a molecular weight of 380.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide
PubChem CID1444490
Molecular FormulaC18H13ClN6O2
Molecular Weight380.80 g/mol
Exact Mass380.08
IUPAC NameN-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide
SMILESO=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)Nc1ccccc1Cl
InChIInChI=1S/C18H13ClN6O2/c19-14-8-4-5-9-15(14)21-16(26)11-24-18(27)13-10-20-25(17(13)22-23-24)12-6-2-1-3-7-12/h1-10H,11H2,(H,21,26)
InChIKeyUDNJNVPXVKJICQ-UHFFFAOYSA-N
XLogP2.27
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide
CID 6487805
3-[(2-chloro-6-fluorophenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
CID 1444510
3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
CID 1444505
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide
CID 6487824
N-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912845
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
N-(2,4-dichlorophenyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882430
3-[2-(2-chloroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2351837
N-(2,6-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714538
3-[(2-chloro-3-methoxyphenyl)methyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
CID 167961975
N-(2-chlorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774389
1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid
CID 114696103

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide (CID 1444490) is N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide is O=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide?
The InChIKey is UDNJNVPXVKJICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O2/c19-14-8-4-5-9-15(14)21-16(26)11-24-18(27)13-10-20-25(17(13)22-23-24)12-6-2-1-3-7-12/h1-10H,11H2,(H,21,26).
What are the key properties of N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide?
N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide has a molecular weight of 380.80 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide is sourced from PubChem (CID 1444490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).