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

C18H22N8 — CID 46985560

IUPAC4-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine
SMILESCc1cnn(-c2cc(N3CCC(n4cc(C5CC5)nn4)CC3)ncn2)c1
InChIInChI=1S/C18H22N8/c1-13-9-21-26(10-13)18-8-17(19-12-20-18)24-6-4-15(5-7-24)25-11-16(22-23-25)14-2-3-14/h8-12,14-15H,2-7H2,1H3
InChIKeyLRZUNAHTSBVUHG-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.28
Rot. Bonds4

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

4-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine (PubChem CID 46985560) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine
PubChem CID46985560
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name4-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine
SMILESCc1cnn(-c2cc(N3CCC(n4cc(C5CC5)nn4)CC3)ncn2)c1
InChIInChI=1S/C18H22N8/c1-13-9-21-26(10-13)18-8-17(19-12-20-18)24-6-4-15(5-7-24)25-11-16(22-23-25)14-2-3-14/h8-12,14-15H,2-7H2,1H3
InChIKeyLRZUNAHTSBVUHG-UHFFFAOYSA-N
XLogP2.28
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine (CID 46985560) is 4-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine is Cc1cnn(-c2cc(N3CCC(n4cc(C5CC5)nn4)CC3)ncn2)c1.
What is the InChIKey of 4-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine?
The InChIKey is LRZUNAHTSBVUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8/c1-13-9-21-26(10-13)18-8-17(19-12-20-18)24-6-4-15(5-7-24)25-11-16(22-23-25)14-2-3-14/h8-12,14-15H,2-7H2,1H3.
What are the key properties of 4-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine?
4-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine has a molecular weight of 350.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-6-(4-methylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 46985560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).