5-ethyl-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine

C14H20N6 — CID 123912649

IUPAC5-ethyl-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine
SMILESCCc1cnc(N2CCC(n3ncc(C)n3)CC2)nc1
InChIInChI=1S/C14H20N6/c1-3-12-9-15-14(16-10-12)19-6-4-13(5-7-19)20-17-8-11(2)18-20/h8-10,13H,3-7H2,1-2H3
InChIKeyINNBMWVOFQZZNT-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.78
Rot. Bonds3

About 5-ethyl-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine

5-ethyl-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine (PubChem CID 123912649) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 5-ethyl-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine
PubChem CID123912649
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name5-ethyl-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine
SMILESCCc1cnc(N2CCC(n3ncc(C)n3)CC2)nc1
InChIInChI=1S/C14H20N6/c1-3-12-9-15-14(16-10-12)19-6-4-13(5-7-19)20-17-8-11(2)18-20/h8-10,13H,3-7H2,1-2H3
InChIKeyINNBMWVOFQZZNT-UHFFFAOYSA-N
XLogP1.78
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-ethyl-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine (CID 123912649) is 5-ethyl-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-ethyl-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-ethyl-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine is CCc1cnc(N2CCC(n3ncc(C)n3)CC2)nc1.
What is the InChIKey of 5-ethyl-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine?
The InChIKey is INNBMWVOFQZZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-3-12-9-15-14(16-10-12)19-6-4-13(5-7-19)20-17-8-11(2)18-20/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 5-ethyl-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine?
5-ethyl-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine has a molecular weight of 272.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 123912649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).