7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C20H34N8 — CID 53202423

IUPAC7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCN1CCN(c2cc(C)nc3nc(CN4CCN(C(C)C)CC4)nn23)CC1
InChIInChI=1S/C20H34N8/c1-5-24-6-12-27(13-7-24)19-14-17(4)21-20-22-18(23-28(19)20)15-25-8-10-26(11-9-25)16(2)3/h14,16H,5-13,15H2,1-4H3
InChIKeyKKFBGRNNNYYTPJ-UHFFFAOYSA-N
MW386.55 g/mol
LogP1.10
Rot. Bonds5

About 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 53202423) has the molecular formula C20H34N8 and a molecular weight of 386.55 g/mol. Its IUPAC name is 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID53202423
Molecular FormulaC20H34N8
Molecular Weight386.55 g/mol
Exact Mass386.29
IUPAC Name7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCN1CCN(c2cc(C)nc3nc(CN4CCN(C(C)C)CC4)nn23)CC1
InChIInChI=1S/C20H34N8/c1-5-24-6-12-27(13-7-24)19-14-17(4)21-20-22-18(23-28(19)20)15-25-8-10-26(11-9-25)16(2)3/h14,16H,5-13,15H2,1-4H3
InChIKeyKKFBGRNNNYYTPJ-UHFFFAOYSA-N
XLogP1.10
TPSA56.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 53202423) is 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine is CCN1CCN(c2cc(C)nc3nc(CN4CCN(C(C)C)CC4)nn23)CC1.
What is the InChIKey of 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KKFBGRNNNYYTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N8/c1-5-24-6-12-27(13-7-24)19-14-17(4)21-20-22-18(23-28(19)20)15-25-8-10-26(11-9-25)16(2)3/h14,16H,5-13,15H2,1-4H3.
What are the key properties of 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 386.55 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylpiperazin-1-yl)-5-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53202423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).