3-[(6-aminoindazol-1-yl)methyl]pyridine-2-carbonitrile

C14H11N5 — CID 55128314

IUPAC3-[(6-aminoindazol-1-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1Cn1ncc2ccc(N)cc21
InChIInChI=1S/C14H11N5/c15-7-13-11(2-1-5-17-13)9-19-14-6-12(16)4-3-10(14)8-18-19/h1-6,8H,9,16H2
InChIKeyBKKIFFFMVHYWOA-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.93
Rot. Bonds2

About 3-[(6-aminoindazol-1-yl)methyl]pyridine-2-carbonitrile

3-[(6-aminoindazol-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 55128314) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-[(6-aminoindazol-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(6-aminoindazol-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID55128314
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name3-[(6-aminoindazol-1-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1Cn1ncc2ccc(N)cc21
InChIInChI=1S/C14H11N5/c15-7-13-11(2-1-5-17-13)9-19-14-6-12(16)4-3-10(14)8-18-19/h1-6,8H,9,16H2
InChIKeyBKKIFFFMVHYWOA-UHFFFAOYSA-N
XLogP1.93
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-aminoindazol-1-yl)methyl]-3-methylbenzonitrile
CID 114480887
4-[(6-aminoindazol-1-yl)methyl]benzonitrile
CID 22693472
3-[(3-amino-5-bromo-1,2,4-triazol-1-yl)methyl]pyridine-2-carbonitrile
CID 103098732
1-[(3,5-dimethylphenyl)methyl]indazol-6-amine
CID 54911286
1-[(2,4-difluorophenyl)methyl]indazol-6-amine
CID 62197807
3-[[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]pyridine-2-carbonitrile
CID 103223517
3-(2-aminoethyl)pyridine-2-carbonitrile
CID 83872418
methyl 3-[(6-aminoindazol-1-yl)methyl]-2-methoxybenzoate
CID 22061039
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
1-(cyclopropylmethyl)indazol-6-amine
CID 43646564
1-(2-phenylethyl)indazol-6-amine
CID 22693545
6-(6-aminoindazol-1-yl)-2,2-dimethylhexanenitrile
CID 106709701

Frequently Asked Questions

What is the IUPAC name of 3-[(6-aminoindazol-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(6-aminoindazol-1-yl)methyl]pyridine-2-carbonitrile (CID 55128314) is 3-[(6-aminoindazol-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(6-aminoindazol-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(6-aminoindazol-1-yl)methyl]pyridine-2-carbonitrile is N#Cc1ncccc1Cn1ncc2ccc(N)cc21.
What is the InChIKey of 3-[(6-aminoindazol-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is BKKIFFFMVHYWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c15-7-13-11(2-1-5-17-13)9-19-14-6-12(16)4-3-10(14)8-18-19/h1-6,8H,9,16H2.
What are the key properties of 3-[(6-aminoindazol-1-yl)methyl]pyridine-2-carbonitrile?
3-[(6-aminoindazol-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 249.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-aminoindazol-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 55128314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).