4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride

C13H13ClN4 — CID 90421309

IUPAC4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride
SMILESCc1[nH]nc2cc(-c3ccc(N)cc3)ncc12.Cl
InChIInChI=1S/C13H12N4.ClH/c1-8-11-7-15-12(6-13(11)17-16-8)9-2-4-10(14)5-3-9;/h2-7H,14H2,1H3,(H,16,17);1H
InChIKeyWOHOQHGUDCGRQN-UHFFFAOYSA-N
MW260.73 g/mol
LogP2.94
Rot. Bonds1

About 4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride

4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride (PubChem CID 90421309) has the molecular formula C13H13ClN4 and a molecular weight of 260.73 g/mol. Its IUPAC name is 4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride.

Molecular Properties

Compound Name4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride
PubChem CID90421309
Molecular FormulaC13H13ClN4
Molecular Weight260.73 g/mol
Exact Mass260.08
IUPAC Name4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride
SMILESCc1[nH]nc2cc(-c3ccc(N)cc3)ncc12.Cl
InChIInChI=1S/C13H12N4.ClH/c1-8-11-7-15-12(6-13(11)17-16-8)9-2-4-10(14)5-3-9;/h2-7H,14H2,1H3,(H,16,17);1H
InChIKeyWOHOQHGUDCGRQN-UHFFFAOYSA-N
XLogP2.94
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride 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 4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride?
The IUPAC name of 4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride (CID 90421309) is 4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride.
What is the SMILES notation for 4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride?
The canonical SMILES for 4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride is Cc1[nH]nc2cc(-c3ccc(N)cc3)ncc12.Cl.
What is the InChIKey of 4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride?
The InChIKey is WOHOQHGUDCGRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4.ClH/c1-8-11-7-15-12(6-13(11)17-16-8)9-2-4-10(14)5-3-9;/h2-7H,14H2,1H3,(H,16,17);1H.
What are the key properties of 4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride?
4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride has a molecular weight of 260.73 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)aniline;hydrochloride is sourced from PubChem (CID 90421309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).