N-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C14H20N8O — CID 156584420

IUPACN-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCn1ncnc1NC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H20N8O/c1-2-22-14(17-11-18-22)19-12(23)10-20-6-8-21(9-7-20)13-15-4-3-5-16-13/h3-5,11H,2,6-10H2,1H3,(H,17,18,19,23)
InChIKeyRTXHLKYBISCHOS-UHFFFAOYSA-N
MW316.37 g/mol
LogP-0.15
Rot. Bonds5

About N-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 156584420) has the molecular formula C14H20N8O and a molecular weight of 316.37 g/mol. Its IUPAC name is N-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID156584420
Molecular FormulaC14H20N8O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC NameN-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCn1ncnc1NC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H20N8O/c1-2-22-14(17-11-18-22)19-12(23)10-20-6-8-21(9-7-20)13-15-4-3-5-16-13/h3-5,11H,2,6-10H2,1H3,(H,17,18,19,23)
InChIKeyRTXHLKYBISCHOS-UHFFFAOYSA-N
XLogP-0.15
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
CID 63569943
N-(4-bromophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6468098
N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 651293
2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 22199066
N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542787
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813
N-(cyclopropylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 32847121
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 134700939

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 156584420) is N-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is CCn1ncnc1NC(=O)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is RTXHLKYBISCHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8O/c1-2-22-14(17-11-18-22)19-12(23)10-20-6-8-21(9-7-20)13-15-4-3-5-16-13/h3-5,11H,2,6-10H2,1H3,(H,17,18,19,23).
What are the key properties of N-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 316.37 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 156584420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).