6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile

C18H16N8 — CID 11427910

IUPAC6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile
SMILESCCCc1c(Cn2ccnc2-c2cccc(C#N)n2)ncn2ncnc12
InChIInChI=1S/C18H16N8/c1-2-4-14-16(22-12-26-17(14)21-11-23-26)10-25-8-7-20-18(25)15-6-3-5-13(9-19)24-15/h3,5-8,11-12H,2,4,10H2,1H3
InChIKeyHRETYXMMIJBZRN-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.26
Rot. Bonds5

About 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile

6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile (PubChem CID 11427910) has the molecular formula C18H16N8 and a molecular weight of 344.38 g/mol. Its IUPAC name is 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile
PubChem CID11427910
Molecular FormulaC18H16N8
Molecular Weight344.38 g/mol
Exact Mass344.15
IUPAC Name6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile
SMILESCCCc1c(Cn2ccnc2-c2cccc(C#N)n2)ncn2ncnc12
InChIInChI=1S/C18H16N8/c1-2-4-14-16(22-12-26-17(14)21-11-23-26)10-25-8-7-20-18(25)15-6-3-5-13(9-19)24-15/h3,5-8,11-12H,2,4,10H2,1H3
InChIKeyHRETYXMMIJBZRN-UHFFFAOYSA-N
XLogP2.26
TPSA97.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile (CID 11427910) is 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile is CCCc1c(Cn2ccnc2-c2cccc(C#N)n2)ncn2ncnc12.
What is the InChIKey of 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile?
The InChIKey is HRETYXMMIJBZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8/c1-2-4-14-16(22-12-26-17(14)21-11-23-26)10-25-8-7-20-18(25)15-6-3-5-13(9-19)24-15/h3,5-8,11-12H,2,4,10H2,1H3.
What are the key properties of 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile?
6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile has a molecular weight of 344.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 11427910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).