5-ethyl-7-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C18H28N6 — CID 46097502

IUPAC5-ethyl-7-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCC(N3CCCC(C)C3)CC2)n2ncnc2n1
InChIInChI=1S/C18H28N6/c1-3-15-11-17(24-18(21-15)19-13-20-24)22-9-6-16(7-10-22)23-8-4-5-14(2)12-23/h11,13-14,16H,3-10,12H2,1-2H3
InChIKeyNLXVABJQXIANTR-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.39
Rot. Bonds3

About 5-ethyl-7-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5-ethyl-7-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 46097502) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-ethyl-7-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-ethyl-7-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID46097502
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name5-ethyl-7-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCC(N3CCCC(C)C3)CC2)n2ncnc2n1
InChIInChI=1S/C18H28N6/c1-3-15-11-17(24-18(21-15)19-13-20-24)22-9-6-16(7-10-22)23-8-4-5-14(2)12-23/h11,13-14,16H,3-10,12H2,1-2H3
InChIKeyNLXVABJQXIANTR-UHFFFAOYSA-N
XLogP2.39
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-ethyl-7-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 46097502) is 5-ethyl-7-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-ethyl-7-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-ethyl-7-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1cc(N2CCC(N3CCCC(C)C3)CC2)n2ncnc2n1.
What is the InChIKey of 5-ethyl-7-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NLXVABJQXIANTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-3-15-11-17(24-18(21-15)19-13-20-24)22-9-6-16(7-10-22)23-8-4-5-14(2)12-23/h11,13-14,16H,3-10,12H2,1-2H3.
What are the key properties of 5-ethyl-7-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-ethyl-7-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 328.46 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46097502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).