N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2H-triazol-4-yl)butanamide

C13H21N5O — CID 86722679

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2H-triazol-4-yl)butanamide
SMILESO=C(CCCc1cn[nH]n1)NC1CC2CCC(C1)N2
InChIInChI=1S/C13H21N5O/c19-13(3-1-2-11-8-14-18-17-11)16-12-6-9-4-5-10(7-12)15-9/h8-10,12,15H,1-7H2,(H,16,19)(H,14,17,18)
InChIKeyUASDTAITSLNQHJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.53
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2H-triazol-4-yl)butanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2H-triazol-4-yl)butanamide (PubChem CID 86722679) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2H-triazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2H-triazol-4-yl)butanamide
PubChem CID86722679
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2H-triazol-4-yl)butanamide
SMILESO=C(CCCc1cn[nH]n1)NC1CC2CCC(C1)N2
InChIInChI=1S/C13H21N5O/c19-13(3-1-2-11-8-14-18-17-11)16-12-6-9-4-5-10(7-12)15-9/h8-10,12,15H,1-7H2,(H,16,19)(H,14,17,18)
InChIKeyUASDTAITSLNQHJ-UHFFFAOYSA-N
XLogP0.53
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2H-triazol-4-yl)butanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2H-triazol-4-yl)butanamide (CID 86722679) is N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2H-triazol-4-yl)butanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2H-triazol-4-yl)butanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2H-triazol-4-yl)butanamide is O=C(CCCc1cn[nH]n1)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2H-triazol-4-yl)butanamide?
The InChIKey is UASDTAITSLNQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c19-13(3-1-2-11-8-14-18-17-11)16-12-6-9-4-5-10(7-12)15-9/h8-10,12,15H,1-7H2,(H,16,19)(H,14,17,18).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2H-triazol-4-yl)butanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2H-triazol-4-yl)butanamide has a molecular weight of 263.34 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2H-triazol-4-yl)butanamide is sourced from PubChem (CID 86722679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).