4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidine

C15H20N6 — CID 84596264

IUPAC4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCCC(c3nncn3C3CC3)C2)ncn1
InChIInChI=1S/C15H20N6/c1-11-7-14(17-9-16-11)20-6-2-3-12(8-20)15-19-18-10-21(15)13-4-5-13/h7,9-10,12-13H,2-6,8H2,1H3
InChIKeyNDHHYOFPNWGCQC-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.10
Rot. Bonds3

About 4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidine

4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidine (PubChem CID 84596264) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidine
PubChem CID84596264
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCCC(c3nncn3C3CC3)C2)ncn1
InChIInChI=1S/C15H20N6/c1-11-7-14(17-9-16-11)20-6-2-3-12(8-20)15-19-18-10-21(15)13-4-5-13/h7,9-10,12-13H,2-6,8H2,1H3
InChIKeyNDHHYOFPNWGCQC-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 4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidine?
The IUPAC name of 4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidine (CID 84596264) is 4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidine.
What is the SMILES notation for 4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidine?
The canonical SMILES for 4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidine is Cc1cc(N2CCCC(c3nncn3C3CC3)C2)ncn1.
What is the InChIKey of 4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidine?
The InChIKey is NDHHYOFPNWGCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-11-7-14(17-9-16-11)20-6-2-3-12(8-20)15-19-18-10-21(15)13-4-5-13/h7,9-10,12-13H,2-6,8H2,1H3.
What are the key properties of 4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidine?
4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-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 4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidine is sourced from PubChem (CID 84596264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).