2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyrimidine

C15H20N6 — CID 84596266

IUPAC2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyrimidine
SMILESCc1ccnc(N2CCCC(c3nncn3C3CC3)C2)n1
InChIInChI=1S/C15H20N6/c1-11-6-7-16-15(18-11)20-8-2-3-12(9-20)14-19-17-10-21(14)13-4-5-13/h6-7,10,12-13H,2-5,8-9H2,1H3
InChIKeyWWDVAHKDGNBQFZ-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.10
Rot. Bonds3

About 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyrimidine

2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyrimidine (PubChem CID 84596266) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyrimidine
PubChem CID84596266
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyrimidine
SMILESCc1ccnc(N2CCCC(c3nncn3C3CC3)C2)n1
InChIInChI=1S/C15H20N6/c1-11-6-7-16-15(18-11)20-8-2-3-12(9-20)14-19-17-10-21(14)13-4-5-13/h6-7,10,12-13H,2-5,8-9H2,1H3
InChIKeyWWDVAHKDGNBQFZ-UHFFFAOYSA-N
XLogP2.10
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyrimidine?
The IUPAC name of 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyrimidine (CID 84596266) is 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyrimidine.
What is the SMILES notation for 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyrimidine?
The canonical SMILES for 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyrimidine is Cc1ccnc(N2CCCC(c3nncn3C3CC3)C2)n1.
What is the InChIKey of 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyrimidine?
The InChIKey is WWDVAHKDGNBQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-11-6-7-16-15(18-11)20-8-2-3-12(9-20)14-19-17-10-21(14)13-4-5-13/h6-7,10,12-13H,2-5,8-9H2,1H3.
What are the key properties of 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyrimidine?
2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyrimidine has a molecular weight of 284.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyrimidine is sourced from PubChem (CID 84596266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).