9-methoxy-3H-pyrazolo[4,5-a]phenanthridin-5-amine

C15H12N4O — CID 118711123

IUPAC9-methoxy-3H-pyrazolo[4,5-a]phenanthridin-5-amine
SMILESCOc1ccc2c(cnc3c(N)cc4[nH]ncc4c32)c1
InChIInChI=1S/C15H12N4O/c1-20-9-2-3-10-8(4-9)6-17-15-12(16)5-13-11(14(10)15)7-18-19-13/h2-7H,16H2,1H3,(H,18,19)
InChIKeyMSKHZOBDYRZQKC-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.86
Rot. Bonds1

About 9-methoxy-3H-pyrazolo[4,5-a]phenanthridin-5-amine

9-methoxy-3H-pyrazolo[4,5-a]phenanthridin-5-amine (PubChem CID 118711123) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 9-methoxy-3H-pyrazolo[4,5-a]phenanthridin-5-amine.

Molecular Properties

Compound Name9-methoxy-3H-pyrazolo[4,5-a]phenanthridin-5-amine
PubChem CID118711123
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name9-methoxy-3H-pyrazolo[4,5-a]phenanthridin-5-amine
SMILESCOc1ccc2c(cnc3c(N)cc4[nH]ncc4c32)c1
InChIInChI=1S/C15H12N4O/c1-20-9-2-3-10-8(4-9)6-17-15-12(16)5-13-11(14(10)15)7-18-19-13/h2-7H,16H2,1H3,(H,18,19)
InChIKeyMSKHZOBDYRZQKC-UHFFFAOYSA-N
XLogP2.86
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3H-pyrazolo[4,5-a]phenanthridin-5-amine?
The IUPAC name of 9-methoxy-3H-pyrazolo[4,5-a]phenanthridin-5-amine (CID 118711123) is 9-methoxy-3H-pyrazolo[4,5-a]phenanthridin-5-amine.
What is the SMILES notation for 9-methoxy-3H-pyrazolo[4,5-a]phenanthridin-5-amine?
The canonical SMILES for 9-methoxy-3H-pyrazolo[4,5-a]phenanthridin-5-amine is COc1ccc2c(cnc3c(N)cc4[nH]ncc4c32)c1.
What is the InChIKey of 9-methoxy-3H-pyrazolo[4,5-a]phenanthridin-5-amine?
The InChIKey is MSKHZOBDYRZQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-20-9-2-3-10-8(4-9)6-17-15-12(16)5-13-11(14(10)15)7-18-19-13/h2-7H,16H2,1H3,(H,18,19).
What are the key properties of 9-methoxy-3H-pyrazolo[4,5-a]phenanthridin-5-amine?
9-methoxy-3H-pyrazolo[4,5-a]phenanthridin-5-amine has a molecular weight of 264.29 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3H-pyrazolo[4,5-a]phenanthridin-5-amine is sourced from PubChem (CID 118711123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).