N-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide

C19H23N7O — CID 36957783

IUPACN-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3cc(C)nc4ncnn34)CC2)c1
InChIInChI=1S/C19H23N7O/c1-14-4-3-5-16(10-14)23-17(27)12-24-6-8-25(9-7-24)18-11-15(2)22-19-20-13-21-26(18)19/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,23,27)
InChIKeySQDKBQQVNNHGMN-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.50
Rot. Bonds4

About N-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide

N-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide (PubChem CID 36957783) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
PubChem CID36957783
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC NameN-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3cc(C)nc4ncnn34)CC2)c1
InChIInChI=1S/C19H23N7O/c1-14-4-3-5-16(10-14)23-17(27)12-24-6-8-25(9-7-24)18-11-15(2)22-19-20-13-21-26(18)19/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,23,27)
InChIKeySQDKBQQVNNHGMN-UHFFFAOYSA-N
XLogP1.50
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 36958018
N-(2-methylbutan-2-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
CID 36958947
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]-N-prop-2-ynylacetamide
CID 133312876
N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
CID 133418014
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-[3-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55967328
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 34905400
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 131897568
7-(4-ethylsulfonylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91956600

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide (CID 36957783) is N-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(c3cc(C)nc4ncnn34)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide?
The InChIKey is SQDKBQQVNNHGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-14-4-3-5-16(10-14)23-17(27)12-24-6-8-25(9-7-24)18-11-15(2)22-19-20-13-21-26(18)19/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,23,27).
What are the key properties of N-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide?
N-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide has a molecular weight of 365.44 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 36957783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).