4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]butanoic acid

C10H17N5O3 — CID 55038063

IUPAC4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCc1nncn1C
InChIInChI=1S/C10H17N5O3/c1-14(5-3-4-9(16)17)10(18)11-6-8-13-12-7-15(8)2/h7H,3-6H2,1-2H3,(H,11,18)(H,16,17)
InChIKeyKPDCZQBHAXEGEY-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.18
Rot. Bonds6

About 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]butanoic acid

4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]butanoic acid (PubChem CID 55038063) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]butanoic acid
PubChem CID55038063
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCc1nncn1C
InChIInChI=1S/C10H17N5O3/c1-14(5-3-4-9(16)17)10(18)11-6-8-13-12-7-15(8)2/h7H,3-6H2,1-2H3,(H,11,18)(H,16,17)
InChIKeyKPDCZQBHAXEGEY-UHFFFAOYSA-N
XLogP-0.18
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]butanoic acid (CID 55038063) is 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)NCc1nncn1C.
What is the InChIKey of 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]butanoic acid?
The InChIKey is KPDCZQBHAXEGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-14(5-3-4-9(16)17)10(18)11-6-8-13-12-7-15(8)2/h7H,3-6H2,1-2H3,(H,11,18)(H,16,17).
What are the key properties of 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]butanoic acid?
4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]butanoic acid has a molecular weight of 255.28 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 55038063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).