4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid

C18H23N5O3 — CID 122027724

IUPAC4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid
SMILESCc1nc2n(n1)CCN(C(=O)NC(CCC(=O)O)Cc1ccccc1)C2
InChIInChI=1S/C18H23N5O3/c1-13-19-16-12-22(9-10-23(16)21-13)18(26)20-15(7-8-17(24)25)11-14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,20,26)(H,24,25)
InChIKeyHWEHTRAYHNWCOZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.59
Rot. Bonds6

About 4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid

4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid (PubChem CID 122027724) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid
PubChem CID122027724
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid
SMILESCc1nc2n(n1)CCN(C(=O)NC(CCC(=O)O)Cc1ccccc1)C2
InChIInChI=1S/C18H23N5O3/c1-13-19-16-12-22(9-10-23(16)21-13)18(26)20-15(7-8-17(24)25)11-14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,20,26)(H,24,25)
InChIKeyHWEHTRAYHNWCOZ-UHFFFAOYSA-N
XLogP1.59
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid with MolForge

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-5-phenylpentanoic acid
CID 122027205
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027397
4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027266
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027840
4-[[4-(2-methoxyethyl)-3-oxo-1,4-diazepane-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028017
5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028048
5-phenyl-4-[(2-propan-2-yl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 122027508
4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid
CID 122027119

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid (CID 122027724) is 4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid is Cc1nc2n(n1)CCN(C(=O)NC(CCC(=O)O)Cc1ccccc1)C2.
What is the InChIKey of 4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid?
The InChIKey is HWEHTRAYHNWCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-13-19-16-12-22(9-10-23(16)21-13)18(26)20-15(7-8-17(24)25)11-14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,20,26)(H,24,25).
What are the key properties of 4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid?
4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid has a molecular weight of 357.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).