4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid

C12H17N5O2 — CID 82683204

IUPAC4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid
SMILESCc1cc(NCC(C)CCC(=O)O)n2ncnc2n1
InChIInChI=1S/C12H17N5O2/c1-8(3-4-11(18)19)6-13-10-5-9(2)16-12-14-7-15-17(10)12/h5,7-8,13H,3-4,6H2,1-2H3,(H,18,19)
InChIKeyBUXCWAIRDZGEGP-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.35
Rot. Bonds6

About 4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid

4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid (PubChem CID 82683204) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid
PubChem CID82683204
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid
SMILESCc1cc(NCC(C)CCC(=O)O)n2ncnc2n1
InChIInChI=1S/C12H17N5O2/c1-8(3-4-11(18)19)6-13-10-5-9(2)16-12-14-7-15-17(10)12/h5,7-8,13H,3-4,6H2,1-2H3,(H,18,19)
InChIKeyBUXCWAIRDZGEGP-UHFFFAOYSA-N
XLogP1.35
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid (CID 82683204) is 4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid is Cc1cc(NCC(C)CCC(=O)O)n2ncnc2n1.
What is the InChIKey of 4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid?
The InChIKey is BUXCWAIRDZGEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8(3-4-11(18)19)6-13-10-5-9(2)16-12-14-7-15-17(10)12/h5,7-8,13H,3-4,6H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid?
4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid has a molecular weight of 263.30 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid is sourced from PubChem (CID 82683204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).