1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

C12H18N4O — CID 86664870

IUPAC1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
SMILESNC(=O)C1=CN2CC3NCCCN3CC2=CC1
InChIInChI=1S/C12H18N4O/c13-12(17)9-2-3-10-7-15-5-1-4-14-11(15)8-16(10)6-9/h3,6,11,14H,1-2,4-5,7-8H2,(H2,13,17)
InChIKeyNGCPPPWYMBSRRC-UHFFFAOYSA-N
MW234.30 g/mol
LogP-0.42
Rot. Bonds1

About 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide (PubChem CID 86664870) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide.

Molecular Properties

Compound Name1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
PubChem CID86664870
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
SMILESNC(=O)C1=CN2CC3NCCCN3CC2=CC1
InChIInChI=1S/C12H18N4O/c13-12(17)9-2-3-10-7-15-5-1-4-14-11(15)8-16(10)6-9/h3,6,11,14H,1-2,4-5,7-8H2,(H2,13,17)
InChIKeyNGCPPPWYMBSRRC-UHFFFAOYSA-N
XLogP-0.42
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The IUPAC name of 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide (CID 86664870) is 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide.
What is the SMILES notation for 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The canonical SMILES for 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide is NC(=O)C1=CN2CC3NCCCN3CC2=CC1.
What is the InChIKey of 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The InChIKey is NGCPPPWYMBSRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-12(17)9-2-3-10-7-15-5-1-4-14-11(15)8-16(10)6-9/h3,6,11,14H,1-2,4-5,7-8H2,(H2,13,17).
What are the key properties of 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide has a molecular weight of 234.30 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide is sourced from PubChem (CID 86664870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).