2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid

C12H15N5O2 — CID 116735088

IUPAC2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid
SMILESCc1cccc(Cn2cc(CC(N)C(=O)O)nn2)n1
InChIInChI=1S/C12H15N5O2/c1-8-3-2-4-9(14-8)6-17-7-10(15-16-17)5-11(13)12(18)19/h2-4,7,11H,5-6,13H2,1H3,(H,18,19)
InChIKeyXWJPGWSRDPFMIZ-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.02
Rot. Bonds5

About 2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid

2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid (PubChem CID 116735088) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid
PubChem CID116735088
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid
SMILESCc1cccc(Cn2cc(CC(N)C(=O)O)nn2)n1
InChIInChI=1S/C12H15N5O2/c1-8-3-2-4-9(14-8)6-17-7-10(15-16-17)5-11(13)12(18)19/h2-4,7,11H,5-6,13H2,1H3,(H,18,19)
InChIKeyXWJPGWSRDPFMIZ-UHFFFAOYSA-N
XLogP-0.02
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-(1-benzyltriazol-4-yl)propanoic acid
CID 24884626
2-amino-3-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propanoic acid
CID 107052617
2-amino-3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]triazol-4-yl]propanoic acid
CID 116734994
2-amino-3-[1-[[4-(hydroxymethyl)phenyl]methyl]triazol-4-yl]propanoic acid
CID 116735055
2-amino-3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]propanoic acid
CID 116735139
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-6-methylpyridine
CID 79261155
2-amino-3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116735023
2-amino-3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-yl]propanoic acid
CID 116735089
2-amino-3-(1-pentyltriazol-4-yl)propanoic acid
CID 91449127
2-amino-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propanoic acid
CID 116734992
2-amino-3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propanoic acid
CID 116734975
2-amino-3-(1-decyltriazol-4-yl)propanoic acid
CID 116735123

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid?
The IUPAC name of 2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid (CID 116735088) is 2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid is Cc1cccc(Cn2cc(CC(N)C(=O)O)nn2)n1.
What is the InChIKey of 2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid?
The InChIKey is XWJPGWSRDPFMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-3-2-4-9(14-8)6-17-7-10(15-16-17)5-11(13)12(18)19/h2-4,7,11H,5-6,13H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid?
2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid has a molecular weight of 261.29 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]propanoic acid is sourced from PubChem (CID 116735088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).