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

C19H18N8 — CID 11222074

IUPAC6-[1-[(2-methyl-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)ncn2nc(C)nc12
InChIInChI=1S/C19H18N8/c1-3-5-15-17(22-12-27-18(15)23-13(2)25-27)11-26-9-8-21-19(26)16-7-4-6-14(10-20)24-16/h4,6-9,12H,3,5,11H2,1-2H3
InChIKeyZBYGVHNGZCTZNX-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.56
Rot. Bonds5

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

6-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile (PubChem CID 11222074) has the molecular formula C19H18N8 and a molecular weight of 358.41 g/mol. Its IUPAC name is 6-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile
PubChem CID11222074
Molecular FormulaC19H18N8
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name6-[1-[(2-methyl-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)ncn2nc(C)nc12
InChIInChI=1S/C19H18N8/c1-3-5-15-17(22-12-27-18(15)23-13(2)25-27)11-26-9-8-21-19(26)16-7-4-6-14(10-20)24-16/h4,6-9,12H,3,5,11H2,1-2H3
InChIKeyZBYGVHNGZCTZNX-UHFFFAOYSA-N
XLogP2.56
TPSA97.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2-methyl-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-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile (CID 11222074) is 6-[1-[(2-methyl-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-[(2-methyl-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-[(2-methyl-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)ncn2nc(C)nc12.
What is the InChIKey of 6-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile?
The InChIKey is ZBYGVHNGZCTZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8/c1-3-5-15-17(22-12-27-18(15)23-13(2)25-27)11-26-9-8-21-19(26)16-7-4-6-14(10-20)24-16/h4,6-9,12H,3,5,11H2,1-2H3.
What are the key properties of 6-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile?
6-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile has a molecular weight of 358.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 11222074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).