5-[[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-oxopentanoic acid

C17H18ClN5O3 — CID 135680015

IUPAC5-[[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-oxopentanoic acid
SMILESCC1=C[C@H](c2ccc(Cl)cc2)n2nc(NC(=O)CCCC(=O)O)nc2N1
InChIInChI=1S/C17H18ClN5O3/c1-10-9-13(11-5-7-12(18)8-6-11)23-17(19-10)21-16(22-23)20-14(24)3-2-4-15(25)26/h5-9,13H,2-4H2,1H3,(H,25,26)(H2,19,20,21,22,24)/t13-/m1/s1
InChIKeyFWPZXYUPWGXFJJ-CYBMUJFWSA-N
MW375.82 g/mol
LogP3.04
Rot. Bonds6

About 5-[[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-oxopentanoic acid

5-[[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-oxopentanoic acid (PubChem CID 135680015) has the molecular formula C17H18ClN5O3 and a molecular weight of 375.82 g/mol. Its IUPAC name is 5-[[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-oxopentanoic acid
PubChem CID135680015
Molecular FormulaC17H18ClN5O3
Molecular Weight375.82 g/mol
Exact Mass375.11
IUPAC Name5-[[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-oxopentanoic acid
SMILESCC1=C[C@H](c2ccc(Cl)cc2)n2nc(NC(=O)CCCC(=O)O)nc2N1
InChIInChI=1S/C17H18ClN5O3/c1-10-9-13(11-5-7-12(18)8-6-11)23-17(19-10)21-16(22-23)20-14(24)3-2-4-15(25)26/h5-9,13H,2-4H2,1H3,(H,25,26)(H2,19,20,21,22,24)/t13-/m1/s1
InChIKeyFWPZXYUPWGXFJJ-CYBMUJFWSA-N
XLogP3.04
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-oxopentanoic acid (CID 135680015) is 5-[[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-oxopentanoic acid is CC1=C[C@H](c2ccc(Cl)cc2)n2nc(NC(=O)CCCC(=O)O)nc2N1.
What is the InChIKey of 5-[[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is FWPZXYUPWGXFJJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18ClN5O3/c1-10-9-13(11-5-7-12(18)8-6-11)23-17(19-10)21-16(22-23)20-14(24)3-2-4-15(25)26/h5-9,13H,2-4H2,1H3,(H,25,26)(H2,19,20,21,22,24)/t13-/m1/s1.
What are the key properties of 5-[[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-oxopentanoic acid?
5-[[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 375.82 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(7R)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 135680015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).