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

C17H29N7 — CID 72881596

IUPAC1-[4-ethyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCCn1c(CN(C)C)nnc1C1CCN(Cc2nc[nH]c2C)CC1
InChIInChI=1S/C17H29N7/c1-5-24-16(11-22(3)4)20-21-17(24)14-6-8-23(9-7-14)10-15-13(2)18-12-19-15/h12,14H,5-11H2,1-4H3,(H,18,19)
InChIKeyMSCHUYJYVZHJKA-UHFFFAOYSA-N
MW331.47 g/mol
LogP1.77
Rot. Bonds6

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

1-[4-ethyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 72881596) has the molecular formula C17H29N7 and a molecular weight of 331.47 g/mol. Its IUPAC name is 1-[4-ethyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
PubChem CID72881596
Molecular FormulaC17H29N7
Molecular Weight331.47 g/mol
Exact Mass331.25
IUPAC Name1-[4-ethyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCCn1c(CN(C)C)nnc1C1CCN(Cc2nc[nH]c2C)CC1
InChIInChI=1S/C17H29N7/c1-5-24-16(11-22(3)4)20-21-17(24)14-6-8-23(9-7-14)10-15-13(2)18-12-19-15/h12,14H,5-11H2,1-4H3,(H,18,19)
InChIKeyMSCHUYJYVZHJKA-UHFFFAOYSA-N
XLogP1.77
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-ethyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (CID 72881596) is 1-[4-ethyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-ethyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-ethyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is CCn1c(CN(C)C)nnc1C1CCN(Cc2nc[nH]c2C)CC1.
What is the InChIKey of 1-[4-ethyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is MSCHUYJYVZHJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N7/c1-5-24-16(11-22(3)4)20-21-17(24)14-6-8-23(9-7-14)10-15-13(2)18-12-19-15/h12,14H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 1-[4-ethyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
1-[4-ethyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 331.47 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 72881596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).