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

C19H18N8 — CID 58960955

IUPAC2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile
SMILESCCCc1c(Cn2ccnc2-c2ncccc2C#N)ncn2nc(C)nc12
InChIInChI=1S/C19H18N8/c1-3-5-15-16(23-12-27-18(15)24-13(2)25-27)11-26-9-8-22-19(26)17-14(10-20)6-4-7-21-17/h4,6-9,12H,3,5,11H2,1-2H3
InChIKeyHXQCURDPVMRVTF-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.56
Rot. Bonds5

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

2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile (PubChem CID 58960955) has the molecular formula C19H18N8 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile
PubChem CID58960955
Molecular FormulaC19H18N8
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile
SMILESCCCc1c(Cn2ccnc2-c2ncccc2C#N)ncn2nc(C)nc12
InChIInChI=1S/C19H18N8/c1-3-5-15-16(23-12-27-18(15)24-13(2)25-27)11-26-9-8-22-19(26)17-14(10-20)6-4-7-21-17/h4,6-9,12H,3,5,11H2,1-2H3
InChIKeyHXQCURDPVMRVTF-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 2-[1-[(2-methyl-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-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile (CID 58960955) is 2-[1-[(2-methyl-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-[(2-methyl-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-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile is CCCc1c(Cn2ccnc2-c2ncccc2C#N)ncn2nc(C)nc12.
What is the InChIKey of 2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile?
The InChIKey is HXQCURDPVMRVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8/c1-3-5-15-16(23-12-27-18(15)24-13(2)25-27)11-26-9-8-22-19(26)17-14(10-20)6-4-7-21-17/h4,6-9,12H,3,5,11H2,1-2H3.
What are the key properties of 2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile?
2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-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 2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 58960955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).