2-(6-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline

C15H14ClN5 — CID 6501359

IUPAC2-(6-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1nc2ncnn2c(N2CCc3ccccc3C2)c1Cl
InChIInChI=1S/C15H14ClN5/c1-10-13(16)14(21-15(19-10)17-9-18-21)20-7-6-11-4-2-3-5-12(11)8-20/h2-5,9H,6-8H2,1H3
InChIKeySRHVHDJPWHVONL-UHFFFAOYSA-N
MW299.77 g/mol
LogP2.65
Rot. Bonds1

About 2-(6-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline

2-(6-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 6501359) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID6501359
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name2-(6-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1nc2ncnn2c(N2CCc3ccccc3C2)c1Cl
InChIInChI=1S/C15H14ClN5/c1-10-13(16)14(21-15(19-10)17-9-18-21)20-7-6-11-4-2-3-5-12(11)8-20/h2-5,9H,6-8H2,1H3
InChIKeySRHVHDJPWHVONL-UHFFFAOYSA-N
XLogP2.65
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(6-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline (CID 6501359) is 2-(6-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(6-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(6-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline is Cc1nc2ncnn2c(N2CCc3ccccc3C2)c1Cl.
What is the InChIKey of 2-(6-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is SRHVHDJPWHVONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-10-13(16)14(21-15(19-10)17-9-18-21)20-7-6-11-4-2-3-5-12(11)8-20/h2-5,9H,6-8H2,1H3.
What are the key properties of 2-(6-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline?
2-(6-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 299.77 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 6501359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).