1-[4-ethyl-5-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

C20H33N7 — CID 72838733

IUPAC1-[4-ethyl-5-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCCCc1cnc(C)nc1N1CCC(c2nnc(CN(C)C)n2CC)CC1
InChIInChI=1S/C20H33N7/c1-6-8-17-13-21-15(3)22-19(17)26-11-9-16(10-12-26)20-24-23-18(14-25(4)5)27(20)7-2/h13,16H,6-12,14H2,1-5H3
InChIKeyMIEOLKINXRPPIQ-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.79
Rot. Bonds7

About 1-[4-ethyl-5-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

1-[4-ethyl-5-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 72838733) has the molecular formula C20H33N7 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-[4-ethyl-5-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-5-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
PubChem CID72838733
Molecular FormulaC20H33N7
Molecular Weight371.53 g/mol
Exact Mass371.28
IUPAC Name1-[4-ethyl-5-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCCCc1cnc(C)nc1N1CCC(c2nnc(CN(C)C)n2CC)CC1
InChIInChI=1S/C20H33N7/c1-6-8-17-13-21-15(3)22-19(17)26-11-9-16(10-12-26)20-24-23-18(14-25(4)5)27(20)7-2/h13,16H,6-12,14H2,1-5H3
InChIKeyMIEOLKINXRPPIQ-UHFFFAOYSA-N
XLogP2.79
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-5-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-ethyl-5-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (CID 72838733) is 1-[4-ethyl-5-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-ethyl-5-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-ethyl-5-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is CCCc1cnc(C)nc1N1CCC(c2nnc(CN(C)C)n2CC)CC1.
What is the InChIKey of 1-[4-ethyl-5-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is MIEOLKINXRPPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N7/c1-6-8-17-13-21-15(3)22-19(17)26-11-9-16(10-12-26)20-24-23-18(14-25(4)5)27(20)7-2/h13,16H,6-12,14H2,1-5H3.
What are the key properties of 1-[4-ethyl-5-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
1-[4-ethyl-5-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 371.53 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-5-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 72838733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).