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

C14H10N4 — CID 118711122

IUPAC3H-pyrazolo[4,5-a]phenanthridin-5-amine
SMILESNc1cc2[nH]ncc2c2c1ncc1ccccc12
InChIInChI=1S/C14H10N4/c15-11-5-12-10(7-17-18-12)13-9-4-2-1-3-8(9)6-16-14(11)13/h1-7H,15H2,(H,17,18)
InChIKeyBBQHUYUAUGFKRG-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.85
Rot. Bonds

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

3H-pyrazolo[4,5-a]phenanthridin-5-amine (PubChem CID 118711122) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3H-pyrazolo[4,5-a]phenanthridin-5-amine.

Molecular Properties

Compound Name3H-pyrazolo[4,5-a]phenanthridin-5-amine
PubChem CID118711122
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name3H-pyrazolo[4,5-a]phenanthridin-5-amine
SMILESNc1cc2[nH]ncc2c2c1ncc1ccccc12
InChIInChI=1S/C14H10N4/c15-11-5-12-10(7-17-18-12)13-9-4-2-1-3-8(9)6-16-14(11)13/h1-7H,15H2,(H,17,18)
InChIKeyBBQHUYUAUGFKRG-UHFFFAOYSA-N
XLogP2.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3H-pyrazolo[4,5-a]phenanthridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3H-pyrazolo[4,5-a]phenanthridin-5-amine?
The IUPAC name of 3H-pyrazolo[4,5-a]phenanthridin-5-amine (CID 118711122) is 3H-pyrazolo[4,5-a]phenanthridin-5-amine.
What is the SMILES notation for 3H-pyrazolo[4,5-a]phenanthridin-5-amine?
The canonical SMILES for 3H-pyrazolo[4,5-a]phenanthridin-5-amine is Nc1cc2[nH]ncc2c2c1ncc1ccccc12.
What is the InChIKey of 3H-pyrazolo[4,5-a]phenanthridin-5-amine?
The InChIKey is BBQHUYUAUGFKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-11-5-12-10(7-17-18-12)13-9-4-2-1-3-8(9)6-16-14(11)13/h1-7H,15H2,(H,17,18).
What are the key properties of 3H-pyrazolo[4,5-a]phenanthridin-5-amine?
3H-pyrazolo[4,5-a]phenanthridin-5-amine has a molecular weight of 234.26 g/mol, XLogP of 2.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrazolo[4,5-a]phenanthridin-5-amine is sourced from PubChem (CID 118711122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).