N-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine

C15H16N4 — CID 81255177

IUPACN-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine
SMILESCCNCc1cnccc1-n1ncc2ccccc21
InChIInChI=1S/C15H16N4/c1-2-16-9-13-10-17-8-7-15(13)19-14-6-4-3-5-12(14)11-18-19/h3-8,10-11,16H,2,9H2,1H3
InChIKeyIYDVKLYNHFLRPI-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.53
Rot. Bonds4

About N-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine

N-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine (PubChem CID 81255177) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine
PubChem CID81255177
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine
SMILESCCNCc1cnccc1-n1ncc2ccccc21
InChIInChI=1S/C15H16N4/c1-2-16-9-13-10-17-8-7-15(13)19-14-6-4-3-5-12(14)11-18-19/h3-8,10-11,16H,2,9H2,1H3
InChIKeyIYDVKLYNHFLRPI-UHFFFAOYSA-N
XLogP2.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine (CID 81255177) is N-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine is CCNCc1cnccc1-n1ncc2ccccc21.
What is the InChIKey of N-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine?
The InChIKey is IYDVKLYNHFLRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-16-9-13-10-17-8-7-15(13)19-14-6-4-3-5-12(14)11-18-19/h3-8,10-11,16H,2,9H2,1H3.
What are the key properties of N-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine?
N-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 81255177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).