5-(pyridin-3-ylmethyl)-1H-indazol-3-amine

C13H12N4 — CID 68672103

IUPAC5-(pyridin-3-ylmethyl)-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(Cc3cccnc3)cc12
InChIInChI=1S/C13H12N4/c14-13-11-7-9(3-4-12(11)16-17-13)6-10-2-1-5-15-8-10/h1-5,7-8H,6H2,(H3,14,16,17)
InChIKeyWOQNGSRINXMHFN-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.13
Rot. Bonds2

About 5-(pyridin-3-ylmethyl)-1H-indazol-3-amine

5-(pyridin-3-ylmethyl)-1H-indazol-3-amine (PubChem CID 68672103) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 5-(pyridin-3-ylmethyl)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-(pyridin-3-ylmethyl)-1H-indazol-3-amine
PubChem CID68672103
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name5-(pyridin-3-ylmethyl)-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(Cc3cccnc3)cc12
InChIInChI=1S/C13H12N4/c14-13-11-7-9(3-4-12(11)16-17-13)6-10-2-1-5-15-8-10/h1-5,7-8H,6H2,(H3,14,16,17)
InChIKeyWOQNGSRINXMHFN-UHFFFAOYSA-N
XLogP2.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-pyridin-3-yl-1H-indazol-3-amine
CID 59023862
4-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 13276723
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
6-(pyridin-3-ylmethyl)-1H-indazole
CID 174925312
2-methyl-5-(pyridin-3-ylmethyl)aniline
CID 104736835
5-prop-2-enyl-1H-indazol-3-amine
CID 58990870
6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587
[3-(pyridin-3-ylmethyl)phenyl]hydrazine
CID 14987069
4,5-difluoro-2-(pyridin-3-ylmethyl)aniline
CID 90291449
2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole
CID 67753277
3-[(4-fluoro-3-methylphenyl)methyl]pyridine
CID 175091377
2-methyl-4-(pyridin-3-ylmethyl)phenol
CID 13365794

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylmethyl)-1H-indazol-3-amine?
The IUPAC name of 5-(pyridin-3-ylmethyl)-1H-indazol-3-amine (CID 68672103) is 5-(pyridin-3-ylmethyl)-1H-indazol-3-amine.
What is the SMILES notation for 5-(pyridin-3-ylmethyl)-1H-indazol-3-amine?
The canonical SMILES for 5-(pyridin-3-ylmethyl)-1H-indazol-3-amine is Nc1n[nH]c2ccc(Cc3cccnc3)cc12.
What is the InChIKey of 5-(pyridin-3-ylmethyl)-1H-indazol-3-amine?
The InChIKey is WOQNGSRINXMHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-13-11-7-9(3-4-12(11)16-17-13)6-10-2-1-5-15-8-10/h1-5,7-8H,6H2,(H3,14,16,17).
What are the key properties of 5-(pyridin-3-ylmethyl)-1H-indazol-3-amine?
5-(pyridin-3-ylmethyl)-1H-indazol-3-amine has a molecular weight of 224.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylmethyl)-1H-indazol-3-amine is sourced from PubChem (CID 68672103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).