2-[cyclopropyl-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid

C10H14N4O4 — CID 54945477

IUPAC2-[cyclopropyl-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid
SMILESCn1nc(N(CC(=O)O)C2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H14N4O4/c1-12-9(17)8(11-13(2)10(12)18)14(5-7(15)16)6-3-4-6/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeySBVSYVZGMWWRCX-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.47
Rot. Bonds4

About 2-[cyclopropyl-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid

2-[cyclopropyl-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid (PubChem CID 54945477) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[cyclopropyl-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid
PubChem CID54945477
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[cyclopropyl-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid
SMILESCn1nc(N(CC(=O)O)C2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H14N4O4/c1-12-9(17)8(11-13(2)10(12)18)14(5-7(15)16)6-3-4-6/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeySBVSYVZGMWWRCX-UHFFFAOYSA-N
XLogP-1.47
TPSA97.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid (CID 54945477) is 2-[cyclopropyl-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid is Cn1nc(N(CC(=O)O)C2CC2)c(=O)n(C)c1=O.
What is the InChIKey of 2-[cyclopropyl-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid?
The InChIKey is SBVSYVZGMWWRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-12-9(17)8(11-13(2)10(12)18)14(5-7(15)16)6-3-4-6/h6H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-[cyclopropyl-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid?
2-[cyclopropyl-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid has a molecular weight of 254.25 g/mol, XLogP of -1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetic acid is sourced from PubChem (CID 54945477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).