N-(1,5-dimethyl-1,2,4-triazol-3-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide

C14H23N5O — CID 46994598

IUPACN-(1,5-dimethyl-1,2,4-triazol-3-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide
SMILESCc1nc(NC(=O)N2C3CCCCC2CCC3)nn1C
InChIInChI=1S/C14H23N5O/c1-10-15-13(17-18(10)2)16-14(20)19-11-6-3-4-7-12(19)9-5-8-11/h11-12H,3-9H2,1-2H3,(H,16,17,20)
InChIKeyIPVUOIDZENJMLD-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.45
Rot. Bonds1

About N-(1,5-dimethyl-1,2,4-triazol-3-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide

N-(1,5-dimethyl-1,2,4-triazol-3-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide (PubChem CID 46994598) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide
PubChem CID46994598
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide
SMILESCc1nc(NC(=O)N2C3CCCCC2CCC3)nn1C
InChIInChI=1S/C14H23N5O/c1-10-15-13(17-18(10)2)16-14(20)19-11-6-3-4-7-12(19)9-5-8-11/h11-12H,3-9H2,1-2H3,(H,16,17,20)
InChIKeyIPVUOIDZENJMLD-UHFFFAOYSA-N
XLogP2.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide?
The IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide (CID 46994598) is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide is Cc1nc(NC(=O)N2C3CCCCC2CCC3)nn1C.
What is the InChIKey of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide?
The InChIKey is IPVUOIDZENJMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10-15-13(17-18(10)2)16-14(20)19-11-6-3-4-7-12(19)9-5-8-11/h11-12H,3-9H2,1-2H3,(H,16,17,20).
What are the key properties of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide?
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide is sourced from PubChem (CID 46994598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).