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

C8H10N4O4 — CID 60838333

IUPAC2-[cyclopropyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid
SMILESO=C(O)CN(c1n[nH]c(=O)[nH]c1=O)C1CC1
InChIInChI=1S/C8H10N4O4/c13-5(14)3-12(4-1-2-4)6-7(15)9-8(16)11-10-6/h4H,1-3H2,(H,13,14)(H2,9,11,15,16)
InChIKeyMTTNKYWRBOIARI-UHFFFAOYSA-N
MW226.19 g/mol
LogP-1.49
Rot. Bonds4

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

2-[cyclopropyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid (PubChem CID 60838333) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-[cyclopropyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid
PubChem CID60838333
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name2-[cyclopropyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid
SMILESO=C(O)CN(c1n[nH]c(=O)[nH]c1=O)C1CC1
InChIInChI=1S/C8H10N4O4/c13-5(14)3-12(4-1-2-4)6-7(15)9-8(16)11-10-6/h4H,1-3H2,(H,13,14)(H2,9,11,15,16)
InChIKeyMTTNKYWRBOIARI-UHFFFAOYSA-N
XLogP-1.49
TPSA119.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid (CID 60838333) is 2-[cyclopropyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid is O=C(O)CN(c1n[nH]c(=O)[nH]c1=O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid?
The InChIKey is MTTNKYWRBOIARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c13-5(14)3-12(4-1-2-4)6-7(15)9-8(16)11-10-6/h4H,1-3H2,(H,13,14)(H2,9,11,15,16).
What are the key properties of 2-[cyclopropyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid?
2-[cyclopropyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid has a molecular weight of 226.19 g/mol, XLogP of -1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetic acid is sourced from PubChem (CID 60838333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).