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

C19H31N5O — CID 20609975

IUPACN-[(Z)-4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]but-2-en-2-yl]acetamide
SMILESCC(=O)N/C(C)=C\CN1C2CCC1CC(n1c(C)nnc1C(C)C)C2
InChIInChI=1S/C19H31N5O/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/h8,12,16-18H,6-7,9-11H2,1-5H3,(H,20,25)/b13-8-
InChIKeyMPTJBNCRUKDNBC-JYRVWZFOSA-N
MW345.49 g/mol
LogP2.92
Rot. Bonds5

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

N-[(Z)-4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]but-2-en-2-yl]acetamide (PubChem CID 20609975) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(Z)-4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]but-2-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]but-2-en-2-yl]acetamide
PubChem CID20609975
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-[(Z)-4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]but-2-en-2-yl]acetamide
SMILESCC(=O)N/C(C)=C\CN1C2CCC1CC(n1c(C)nnc1C(C)C)C2
InChIInChI=1S/C19H31N5O/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/h8,12,16-18H,6-7,9-11H2,1-5H3,(H,20,25)/b13-8-
InChIKeyMPTJBNCRUKDNBC-JYRVWZFOSA-N
XLogP2.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(Z)-4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]but-2-en-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]but-2-en-2-yl]acetamide?
The IUPAC name of N-[(Z)-4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]but-2-en-2-yl]acetamide (CID 20609975) is N-[(Z)-4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]but-2-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]but-2-en-2-yl]acetamide?
The canonical SMILES for N-[(Z)-4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]but-2-en-2-yl]acetamide is CC(=O)N/C(C)=C\CN1C2CCC1CC(n1c(C)nnc1C(C)C)C2.
What is the InChIKey of N-[(Z)-4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]but-2-en-2-yl]acetamide?
The InChIKey is MPTJBNCRUKDNBC-JYRVWZFOSA-N. The full InChI is InChI=1S/C19H31N5O/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/h8,12,16-18H,6-7,9-11H2,1-5H3,(H,20,25)/b13-8-.
What are the key properties of N-[(Z)-4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]but-2-en-2-yl]acetamide?
N-[(Z)-4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]but-2-en-2-yl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]but-2-en-2-yl]acetamide is sourced from PubChem (CID 20609975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).