2-methanimidoylpyridin-3-amine;1H-pyrazolo[4,5-c]pyridine

C12H12N6 — CID 163372331

IUPAC2-methanimidoylpyridin-3-amine;1H-pyrazolo[4,5-c]pyridine
SMILES[H]/N=C/c1ncccc1N.c1cc2[nH]ncc2cn1
InChIInChI=1S/C6H5N3.C6H7N3/c1-2-7-3-5-4-8-9-6(1)5;7-4-6-5(8)2-1-3-9-6/h1-4H,(H,8,9);1-4,7H,8H2/b;7-4+
InChIKeyYURRTBRSGCMXJX-DNLQIICGSA-N
MW240.27 g/mol
LogP1.62
Rot. Bonds1

About 2-methanimidoylpyridin-3-amine;1H-pyrazolo[4,5-c]pyridine

2-methanimidoylpyridin-3-amine;1H-pyrazolo[4,5-c]pyridine (PubChem CID 163372331) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-methanimidoylpyridin-3-amine;1H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-methanimidoylpyridin-3-amine;1H-pyrazolo[4,5-c]pyridine
PubChem CID163372331
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name2-methanimidoylpyridin-3-amine;1H-pyrazolo[4,5-c]pyridine
SMILES[H]/N=C/c1ncccc1N.c1cc2[nH]ncc2cn1
InChIInChI=1S/C6H5N3.C6H7N3/c1-2-7-3-5-4-8-9-6(1)5;7-4-6-5(8)2-1-3-9-6/h1-4H,(H,8,9);1-4,7H,8H2/b;7-4+
InChIKeyYURRTBRSGCMXJX-DNLQIICGSA-N
XLogP1.62
TPSA104.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methylphosphane;1H-pyrazolo[4,5-c]pyridine
CID 169111634
1H-pyrazolo[4,5-c]pyridine;trifluoromethylbenzene
CID 157412236
methanamine;1H-pyrazolo[5,4-b]pyridine
CID 143863701
methane;1H-pyrazolo[5,4-b]pyridine
CID 167479315
2-methanimidoylpyridine-3-carbaldehyde
CID 139520379
2-ethenylpyridin-3-amine
CID 19847965
2-propa-1,2-dienylpyridin-3-amine
CID 176534340
1H-indazole;quinoline
CID 67837536
1H-indazole;pyrido[3,4-d]pyrimidin-4-amine
CID 173270330
ethane;N-pyridin-3-yl-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 172599728
sodium;bis(1H-indazole);ruthenium(3+);tetrachloride
CID 10481153
ethane;isoquinolin-5-amine
CID 143675367

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoylpyridin-3-amine;1H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 2-methanimidoylpyridin-3-amine;1H-pyrazolo[4,5-c]pyridine (CID 163372331) is 2-methanimidoylpyridin-3-amine;1H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 2-methanimidoylpyridin-3-amine;1H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 2-methanimidoylpyridin-3-amine;1H-pyrazolo[4,5-c]pyridine is [H]/N=C/c1ncccc1N.c1cc2[nH]ncc2cn1.
What is the InChIKey of 2-methanimidoylpyridin-3-amine;1H-pyrazolo[4,5-c]pyridine?
The InChIKey is YURRTBRSGCMXJX-DNLQIICGSA-N. The full InChI is InChI=1S/C6H5N3.C6H7N3/c1-2-7-3-5-4-8-9-6(1)5;7-4-6-5(8)2-1-3-9-6/h1-4H,(H,8,9);1-4,7H,8H2/b;7-4+.
What are the key properties of 2-methanimidoylpyridin-3-amine;1H-pyrazolo[4,5-c]pyridine?
2-methanimidoylpyridin-3-amine;1H-pyrazolo[4,5-c]pyridine has a molecular weight of 240.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoylpyridin-3-amine;1H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 163372331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).