4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine

C20H26N8 — CID 46994921

IUPAC4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine
SMILESCc1cnn(-c2cc(N3CCC(n4cc(C5CCCC5)nn4)CC3)ncn2)c1
InChIInChI=1S/C20H26N8/c1-15-11-23-28(12-15)20-10-19(21-14-22-20)26-8-6-17(7-9-26)27-13-18(24-25-27)16-4-2-3-5-16/h10-14,16-17H,2-9H2,1H3
InChIKeyJJGBUYWNEHGOBN-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.06
Rot. Bonds4

About 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine

4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine (PubChem CID 46994921) has the molecular formula C20H26N8 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine
PubChem CID46994921
Molecular FormulaC20H26N8
Molecular Weight378.48 g/mol
Exact Mass378.23
IUPAC Name4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine
SMILESCc1cnn(-c2cc(N3CCC(n4cc(C5CCCC5)nn4)CC3)ncn2)c1
InChIInChI=1S/C20H26N8/c1-15-11-23-28(12-15)20-10-19(21-14-22-20)26-8-6-17(7-9-26)27-13-18(24-25-27)16-4-2-3-5-16/h10-14,16-17H,2-9H2,1H3
InChIKeyJJGBUYWNEHGOBN-UHFFFAOYSA-N
XLogP3.06
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine (CID 46994921) is 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine is Cc1cnn(-c2cc(N3CCC(n4cc(C5CCCC5)nn4)CC3)ncn2)c1.
What is the InChIKey of 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine?
The InChIKey is JJGBUYWNEHGOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8/c1-15-11-23-28(12-15)20-10-19(21-14-22-20)26-8-6-17(7-9-26)27-13-18(24-25-27)16-4-2-3-5-16/h10-14,16-17H,2-9H2,1H3.
What are the key properties of 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine?
4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine has a molecular weight of 378.48 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 46994921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).