2-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

C17H14N4O2 — CID 135646714

IUPAC2-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1nc2n(n1)C(c1cccc3ccccc13)C=C(C(=O)O)N2
InChIInChI=1S/C17H14N4O2/c1-10-18-17-19-14(16(22)23)9-15(21(17)20-10)13-8-4-6-11-5-2-3-7-12(11)13/h2-9,15H,1H3,(H,22,23)(H,18,19,20)
InChIKeyNGMYRFAMXYBALC-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.72
Rot. Bonds2

About 2-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

2-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 135646714) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID135646714
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1nc2n(n1)C(c1cccc3ccccc13)C=C(C(=O)O)N2
InChIInChI=1S/C17H14N4O2/c1-10-18-17-19-14(16(22)23)9-15(21(17)20-10)13-8-4-6-11-5-2-3-7-12(11)13/h2-9,15H,1H3,(H,22,23)(H,18,19,20)
InChIKeyNGMYRFAMXYBALC-UHFFFAOYSA-N
XLogP2.72
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 135646714) is 2-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1nc2n(n1)C(c1cccc3ccccc13)C=C(C(=O)O)N2.
What is the InChIKey of 2-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is NGMYRFAMXYBALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-10-18-17-19-14(16(22)23)9-15(21(17)20-10)13-8-4-6-11-5-2-3-7-12(11)13/h2-9,15H,1H3,(H,22,23)(H,18,19,20).
What are the key properties of 2-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 306.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 135646714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).