4-amino-2,6-di(pyrazol-1-yl)pyrimidine-5-carbonitrile

C11H8N8 — CID 53467828

IUPAC4-amino-2,6-di(pyrazol-1-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(-n2cccn2)nc1-n1cccn1
InChIInChI=1S/C11H8N8/c12-7-8-9(13)16-11(19-6-2-4-15-19)17-10(8)18-5-1-3-14-18/h1-6H,(H2,13,16,17)
InChIKeyIRLWKWMOWQSPSY-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.30
Rot. Bonds2

About 4-amino-2,6-di(pyrazol-1-yl)pyrimidine-5-carbonitrile

4-amino-2,6-di(pyrazol-1-yl)pyrimidine-5-carbonitrile (PubChem CID 53467828) has the molecular formula C11H8N8 and a molecular weight of 252.24 g/mol. Its IUPAC name is 4-amino-2,6-di(pyrazol-1-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2,6-di(pyrazol-1-yl)pyrimidine-5-carbonitrile
PubChem CID53467828
Molecular FormulaC11H8N8
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name4-amino-2,6-di(pyrazol-1-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(-n2cccn2)nc1-n1cccn1
InChIInChI=1S/C11H8N8/c12-7-8-9(13)16-11(19-6-2-4-15-19)17-10(8)18-5-1-3-14-18/h1-6H,(H2,13,16,17)
InChIKeyIRLWKWMOWQSPSY-UHFFFAOYSA-N
XLogP0.30
TPSA111.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-di(pyrazol-1-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2,6-di(pyrazol-1-yl)pyrimidine-5-carbonitrile (CID 53467828) is 4-amino-2,6-di(pyrazol-1-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2,6-di(pyrazol-1-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2,6-di(pyrazol-1-yl)pyrimidine-5-carbonitrile is N#Cc1c(N)nc(-n2cccn2)nc1-n1cccn1.
What is the InChIKey of 4-amino-2,6-di(pyrazol-1-yl)pyrimidine-5-carbonitrile?
The InChIKey is IRLWKWMOWQSPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N8/c12-7-8-9(13)16-11(19-6-2-4-15-19)17-10(8)18-5-1-3-14-18/h1-6H,(H2,13,16,17).
What are the key properties of 4-amino-2,6-di(pyrazol-1-yl)pyrimidine-5-carbonitrile?
4-amino-2,6-di(pyrazol-1-yl)pyrimidine-5-carbonitrile has a molecular weight of 252.24 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-di(pyrazol-1-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 53467828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).