2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile

C11H12N6 — CID 79524488

IUPAC2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile
SMILESCn1ncc(CNc2ncccc2C#N)c1N
InChIInChI=1S/C11H12N6/c1-17-10(13)9(7-16-17)6-15-11-8(5-12)3-2-4-14-11/h2-4,7H,6,13H2,1H3,(H,14,15)
InChIKeyLDNAWWLBPIUOEQ-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.88
Rot. Bonds3

About 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile

2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 79524488) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile
PubChem CID79524488
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile
SMILESCn1ncc(CNc2ncccc2C#N)c1N
InChIInChI=1S/C11H12N6/c1-17-10(13)9(7-16-17)6-15-11-8(5-12)3-2-4-14-11/h2-4,7H,6,13H2,1H3,(H,14,15)
InChIKeyLDNAWWLBPIUOEQ-UHFFFAOYSA-N
XLogP0.88
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine
CID 79523703
2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
CID 113228777
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-5-bromobenzonitrile
CID 114894110
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-methylbenzonitrile
CID 79523434
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-bromobenzonitrile
CID 114905636
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-(2-cyanophenyl)methanesulfonamide
CID 79529172
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-chlorobenzonitrile
CID 79523799
2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 16567838
2-[(2-amino-2-methylpropyl)amino]pyridine-3-carbonitrile
CID 78954580
2-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-3-carbonitrile
CID 133380381
2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile
CID 114617287
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine
CID 106540865

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile (CID 79524488) is 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile is Cn1ncc(CNc2ncccc2C#N)c1N.
What is the InChIKey of 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is LDNAWWLBPIUOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-17-10(13)9(7-16-17)6-15-11-8(5-12)3-2-4-14-11/h2-4,7H,6,13H2,1H3,(H,14,15).
What are the key properties of 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile?
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 228.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 79524488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).