2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C17H17N5O2 — CID 90650543

IUPAC2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2ncc(C(=O)NC3CCc4ccccc4C3)c(=O)n2[nH]1
InChIInChI=1S/C17H17N5O2/c1-10-19-17-18-9-14(16(24)22(17)21-10)15(23)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9,13H,6-8H2,1H3,(H,20,23)(H,18,19,21)
InChIKeyOHTUDLADDYJOCF-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.01
Rot. Bonds2

About 2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 90650543) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID90650543
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2ncc(C(=O)NC3CCc4ccccc4C3)c(=O)n2[nH]1
InChIInChI=1S/C17H17N5O2/c1-10-19-17-18-9-14(16(24)22(17)21-10)15(23)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9,13H,6-8H2,1H3,(H,20,23)(H,18,19,21)
InChIKeyOHTUDLADDYJOCF-UHFFFAOYSA-N
XLogP1.01
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 90650543) is 2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nc2ncc(C(=O)NC3CCc4ccccc4C3)c(=O)n2[nH]1.
What is the InChIKey of 2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is OHTUDLADDYJOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-10-19-17-18-9-14(16(24)22(17)21-10)15(23)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9,13H,6-8H2,1H3,(H,20,23)(H,18,19,21).
What are the key properties of 2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 90650543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).