N,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide

C13H15N5O — CID 123836513

IUPACN,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide
SMILESCN(C)C(=O)c1[nH]nc2c1CCCc1cncnc1-2
InChIInChI=1S/C13H15N5O/c1-18(2)13(19)12-9-5-3-4-8-6-14-7-15-10(8)11(9)16-17-12/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyATPIIZNKBRNJEO-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.06
Rot. Bonds1

About N,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide

N,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide (PubChem CID 123836513) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide
PubChem CID123836513
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide
SMILESCN(C)C(=O)c1[nH]nc2c1CCCc1cncnc1-2
InChIInChI=1S/C13H15N5O/c1-18(2)13(19)12-9-5-3-4-8-6-14-7-15-10(8)11(9)16-17-12/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyATPIIZNKBRNJEO-UHFFFAOYSA-N
XLogP1.06
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide?
The IUPAC name of N,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide (CID 123836513) is N,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide?
The canonical SMILES for N,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide is CN(C)C(=O)c1[nH]nc2c1CCCc1cncnc1-2.
What is the InChIKey of N,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide?
The InChIKey is ATPIIZNKBRNJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-18(2)13(19)12-9-5-3-4-8-6-14-7-15-10(8)11(9)16-17-12/h6-7H,3-5H2,1-2H3,(H,16,17).
What are the key properties of N,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide?
N,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 123836513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).