1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile

C13H9N5 — CID 174925318

IUPAC1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile
SMILESN#Cc1nn(Cc2cncnc2)c2ccccc12
InChIInChI=1S/C13H9N5/c14-5-12-11-3-1-2-4-13(11)18(17-12)8-10-6-15-9-16-7-10/h1-4,6-7,9H,8H2
InChIKeyWLSSZKUYYIVOFF-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.75
Rot. Bonds2

About 1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile

1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile (PubChem CID 174925318) has the molecular formula C13H9N5 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile.

Molecular Properties

Compound Name1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile
PubChem CID174925318
Molecular FormulaC13H9N5
Molecular Weight235.25 g/mol
Exact Mass235.09
IUPAC Name1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile
SMILESN#Cc1nn(Cc2cncnc2)c2ccccc12
InChIInChI=1S/C13H9N5/c14-5-12-11-3-1-2-4-13(11)18(17-12)8-10-6-15-9-16-7-10/h1-4,6-7,9H,8H2
InChIKeyWLSSZKUYYIVOFF-UHFFFAOYSA-N
XLogP1.75
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile?
The IUPAC name of 1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile (CID 174925318) is 1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile.
What is the SMILES notation for 1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile?
The canonical SMILES for 1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile is N#Cc1nn(Cc2cncnc2)c2ccccc12.
What is the InChIKey of 1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile?
The InChIKey is WLSSZKUYYIVOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5/c14-5-12-11-3-1-2-4-13(11)18(17-12)8-10-6-15-9-16-7-10/h1-4,6-7,9H,8H2.
What are the key properties of 1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile?
1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile has a molecular weight of 235.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-5-ylmethyl)indazole-3-carbonitrile is sourced from PubChem (CID 174925318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).