N-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide

C19H22N8O2 — CID 90627085

IUPACN-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C19H22N8O2/c1-2-29-16-6-4-3-5-15(16)24-19(28)26-9-7-25(8-10-26)17-11-18(22-13-21-17)27-14-20-12-23-27/h3-6,11-14H,2,7-10H2,1H3,(H,24,28)
InChIKeyVOMGFAWYMATGPU-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.81
Rot. Bonds5

About N-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide

N-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 90627085) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID90627085
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC NameN-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C19H22N8O2/c1-2-29-16-6-4-3-5-15(16)24-19(28)26-9-7-25(8-10-26)17-11-18(22-13-21-17)27-14-20-12-23-27/h3-6,11-14H,2,7-10H2,1H3,(H,24,28)
InChIKeyVOMGFAWYMATGPU-UHFFFAOYSA-N
XLogP1.81
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

(2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626469
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 122334873
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
N-(2-phenoxyethyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 90627092
4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113111741
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542
N-(2-ethylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600331
(6-ethoxy-3-pyridinyl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626676
N-(2-ethoxyphenyl)-4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 56921511
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
N-(2-ethoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 53136737
N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103891

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide (CID 90627085) is N-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is VOMGFAWYMATGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2/c1-2-29-16-6-4-3-5-15(16)24-19(28)26-9-7-25(8-10-26)17-11-18(22-13-21-17)27-14-20-12-23-27/h3-6,11-14H,2,7-10H2,1H3,(H,24,28).
What are the key properties of N-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide?
N-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 90627085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).