2-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile

C18H16N8 — CID 11175335

IUPAC2-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile
SMILESCCCc1c(Cn2ccnc2-c2ncccc2C#N)ncn2ncnc12
InChIInChI=1S/C18H16N8/c1-2-4-14-15(23-12-26-17(14)22-11-24-26)10-25-8-7-21-18(25)16-13(9-19)5-3-6-20-16/h3,5-8,11-12H,2,4,10H2,1H3
InChIKeyUYUZKXAGLYQINB-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.26
Rot. Bonds5

About 2-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile

2-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile (PubChem CID 11175335) has the molecular formula C18H16N8 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile
PubChem CID11175335
Molecular FormulaC18H16N8
Molecular Weight344.38 g/mol
Exact Mass344.15
IUPAC Name2-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile
SMILESCCCc1c(Cn2ccnc2-c2ncccc2C#N)ncn2ncnc12
InChIInChI=1S/C18H16N8/c1-2-4-14-15(23-12-26-17(14)22-11-24-26)10-25-8-7-21-18(25)16-13(9-19)5-3-6-20-16/h3,5-8,11-12H,2,4,10H2,1H3
InChIKeyUYUZKXAGLYQINB-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 2-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile (CID 11175335) is 2-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile is CCCc1c(Cn2ccnc2-c2ncccc2C#N)ncn2ncnc12.
What is the InChIKey of 2-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile?
The InChIKey is UYUZKXAGLYQINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8/c1-2-4-14-15(23-12-26-17(14)22-11-24-26)10-25-8-7-21-18(25)16-13(9-19)5-3-6-20-16/h3,5-8,11-12H,2,4,10H2,1H3.
What are the key properties of 2-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile?
2-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-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 2-[1-[(8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 11175335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).