N-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]phenyl]acetamide

C19H19N7O — CID 148674213

IUPACN-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2nc3cncc(-c4cnn(C)c4)n3n2)cc1C
InChIInChI=1S/C19H19N7O/c1-12-6-14(4-5-16(12)22-13(2)27)7-18-23-19-10-20-9-17(26(19)24-18)15-8-21-25(3)11-15/h4-6,8-11H,7H2,1-3H3,(H,22,27)
InChIKeyNQHZQYVFBHDZGB-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.38
Rot. Bonds4

About N-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]phenyl]acetamide

N-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]phenyl]acetamide (PubChem CID 148674213) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]phenyl]acetamide
PubChem CID148674213
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC NameN-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2nc3cncc(-c4cnn(C)c4)n3n2)cc1C
InChIInChI=1S/C19H19N7O/c1-12-6-14(4-5-16(12)22-13(2)27)7-18-23-19-10-20-9-17(26(19)24-18)15-8-21-25(3)11-15/h4-6,8-11H,7H2,1-3H3,(H,22,27)
InChIKeyNQHZQYVFBHDZGB-UHFFFAOYSA-N
XLogP2.38
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]phenyl]acetamide (CID 148674213) is N-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cc2nc3cncc(-c4cnn(C)c4)n3n2)cc1C.
What is the InChIKey of N-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]phenyl]acetamide?
The InChIKey is NQHZQYVFBHDZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-12-6-14(4-5-16(12)22-13(2)27)7-18-23-19-10-20-9-17(26(19)24-18)15-8-21-25(3)11-15/h4-6,8-11H,7H2,1-3H3,(H,22,27).
What are the key properties of N-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]phenyl]acetamide?
N-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]phenyl]acetamide has a molecular weight of 361.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[[5-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 148674213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).