N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]butan-2-yl]acetamide

C19H33N5O — CID 20609976

IUPACN-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCN1C2CCC1CC(n1c(C)nnc1C(C)C)C2
InChIInChI=1S/C19H33N5O/c1-12(2)19-22-21-14(4)24(19)18-10-16-6-7-17(11-18)23(16)9-8-13(3)20-15(5)25/h12-13,16-18H,6-11H2,1-5H3,(H,20,25)
InChIKeyLYTZSLHKUJVJHM-UHFFFAOYSA-N
MW347.51 g/mol
LogP2.79
Rot. Bonds6

About N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]butan-2-yl]acetamide

N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]butan-2-yl]acetamide (PubChem CID 20609976) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]butan-2-yl]acetamide
PubChem CID20609976
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC NameN-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCN1C2CCC1CC(n1c(C)nnc1C(C)C)C2
InChIInChI=1S/C19H33N5O/c1-12(2)19-22-21-14(4)24(19)18-10-16-6-7-17(11-18)23(16)9-8-13(3)20-15(5)25/h12-13,16-18H,6-11H2,1-5H3,(H,20,25)
InChIKeyLYTZSLHKUJVJHM-UHFFFAOYSA-N
XLogP2.79
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]butan-2-yl]acetamide?
The IUPAC name of N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]butan-2-yl]acetamide (CID 20609976) is N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]butan-2-yl]acetamide.
What is the SMILES notation for N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]butan-2-yl]acetamide?
The canonical SMILES for N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]butan-2-yl]acetamide is CC(=O)NC(C)CCN1C2CCC1CC(n1c(C)nnc1C(C)C)C2.
What is the InChIKey of N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]butan-2-yl]acetamide?
The InChIKey is LYTZSLHKUJVJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-12(2)19-22-21-14(4)24(19)18-10-16-6-7-17(11-18)23(16)9-8-13(3)20-15(5)25/h12-13,16-18H,6-11H2,1-5H3,(H,20,25).
What are the key properties of N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]butan-2-yl]acetamide?
N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]butan-2-yl]acetamide has a molecular weight of 347.51 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]butan-2-yl]acetamide is sourced from PubChem (CID 20609976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).