N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide

C18H20N8O — CID 122299398

IUPACN-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C18H20N8O/c27-17(12-26-14-19-13-22-26)23-15-10-20-18(21-11-15)25-8-6-24(7-9-25)16-4-2-1-3-5-16/h1-5,10-11,13-14H,6-9,12H2,(H,23,27)
InChIKeyHBHPEHWPXTYQKY-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.03
Rot. Bonds5

About N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide

N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 122299398) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID122299398
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C18H20N8O/c27-17(12-26-14-19-13-22-26)23-15-10-20-18(21-11-15)25-8-6-24(7-9-25)16-4-2-1-3-5-16/h1-5,10-11,13-14H,6-9,12H2,(H,23,27)
InChIKeyHBHPEHWPXTYQKY-UHFFFAOYSA-N
XLogP1.03
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
CID 122299278
1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 91968160
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide
CID 122299328
N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109261157
1-(2-fluorophenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 71790143
N-[4-(azepan-1-ylmethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 46958365
4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122299333
5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid
CID 61405729
3-[4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]phenyl]propanoic acid
CID 115339379
1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 92632843
3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91968002
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide
CID 122299402

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide (CID 122299398) is N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is HBHPEHWPXTYQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c27-17(12-26-14-19-13-22-26)23-15-10-20-18(21-11-15)25-8-6-24(7-9-25)16-4-2-1-3-5-16/h1-5,10-11,13-14H,6-9,12H2,(H,23,27).
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 364.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 122299398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).