4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol

C10H8N4O — CID 70942309

IUPAC4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol
SMILESNc1cc2c(cn1)[nH]c1ncc(O)cc12
InChIInChI=1S/C10H8N4O/c11-9-2-6-7-1-5(15)3-13-10(7)14-8(6)4-12-9/h1-4,15H,(H2,11,12)(H,13,14)
InChIKeyRNHPAHLTKYCKHP-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.40
Rot. Bonds

About 4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol

4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol (PubChem CID 70942309) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol.

Molecular Properties

Compound Name4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol
PubChem CID70942309
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol
SMILESNc1cc2c(cn1)[nH]c1ncc(O)cc12
InChIInChI=1S/C10H8N4O/c11-9-2-6-7-1-5(15)3-13-10(7)14-8(6)4-12-9/h1-4,15H,(H2,11,12)(H,13,14)
InChIKeyRNHPAHLTKYCKHP-UHFFFAOYSA-N
XLogP1.40
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol?
The IUPAC name of 4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol (CID 70942309) is 4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol.
What is the SMILES notation for 4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol?
The canonical SMILES for 4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol is Nc1cc2c(cn1)[nH]c1ncc(O)cc12.
What is the InChIKey of 4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol?
The InChIKey is RNHPAHLTKYCKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c11-9-2-6-7-1-5(15)3-13-10(7)14-8(6)4-12-9/h1-4,15H,(H2,11,12)(H,13,14).
What are the key properties of 4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol?
4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol has a molecular weight of 200.20 g/mol, XLogP of 1.40, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol is sourced from PubChem (CID 70942309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).