2-[4-[(5-ethyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidine

C18H22N8 — CID 131945827

IUPAC2-[4-[(5-ethyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCCc1nc(CN2CCN(c3ncccn3)CC2)n(-c2cccnc2)n1
InChIInChI=1S/C18H22N8/c1-2-16-22-17(26(23-16)15-5-3-6-19-13-15)14-24-9-11-25(12-10-24)18-20-7-4-8-21-18/h3-8,13H,2,9-12,14H2,1H3
InChIKeyKSYMISRBHLDTQF-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.34
Rot. Bonds5

About 2-[4-[(5-ethyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(5-ethyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 131945827) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-[4-[(5-ethyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(5-ethyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID131945827
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name2-[4-[(5-ethyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCCc1nc(CN2CCN(c3ncccn3)CC2)n(-c2cccnc2)n1
InChIInChI=1S/C18H22N8/c1-2-16-22-17(26(23-16)15-5-3-6-19-13-15)14-24-9-11-25(12-10-24)18-20-7-4-8-21-18/h3-8,13H,2,9-12,14H2,1H3
InChIKeyKSYMISRBHLDTQF-UHFFFAOYSA-N
XLogP1.34
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(5-ethyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidine with MolForge

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Related Compounds

1-ethyl-4-pyridin-3-yl-1,4-diazepane
CID 22478498
4,6-dimethyl-5-pyridin-3-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyrrole-1,3-dione
CID 10718752
1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine
CID 146025672
1-benzyl-4-pyridin-3-yl-1,4-diazepane
CID 22053417
3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 59474843
2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)pyrimidine
CID 30032571
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-3-ylmethyl)piperazine
CID 90507604
2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 11300847
2-[4-[[2-ethyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]pyrimidine
CID 74236088
8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline
CID 146025679
5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 166600720

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(5-ethyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidine (CID 131945827) is 2-[4-[(5-ethyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(5-ethyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(5-ethyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidine is CCc1nc(CN2CCN(c3ncccn3)CC2)n(-c2cccnc2)n1.
What is the InChIKey of 2-[4-[(5-ethyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is KSYMISRBHLDTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8/c1-2-16-22-17(26(23-16)15-5-3-6-19-13-15)14-24-9-11-25(12-10-24)18-20-7-4-8-21-18/h3-8,13H,2,9-12,14H2,1H3.
What are the key properties of 2-[4-[(5-ethyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(5-ethyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 350.43 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 131945827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).