(2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid

C7H10N4O4 — CID 10398314

IUPAC(2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid
SMILESCc1nn(C[C@@H](N)C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O4/c1-3-5(12)9-7(15)11(10-3)2-4(8)6(13)14/h4H,2,8H2,1H3,(H,13,14)(H,9,12,15)/t4-/m1/s1
InChIKeySNQRPZWKEMQXLW-SCSAIBSYSA-N
MW214.18 g/mol
LogP-2.35
Rot. Bonds3

About (2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid

(2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid (PubChem CID 10398314) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is (2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid
PubChem CID10398314
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name(2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid
SMILESCc1nn(C[C@@H](N)C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O4/c1-3-5(12)9-7(15)11(10-3)2-4(8)6(13)14/h4H,2,8H2,1H3,(H,13,14)(H,9,12,15)/t4-/m1/s1
InChIKeySNQRPZWKEMQXLW-SCSAIBSYSA-N
XLogP-2.35
TPSA131.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-2.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid (CID 10398314) is (2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid is Cc1nn(C[C@@H](N)C(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of (2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid?
The InChIKey is SNQRPZWKEMQXLW-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H10N4O4/c1-3-5(12)9-7(15)11(10-3)2-4(8)6(13)14/h4H,2,8H2,1H3,(H,13,14)(H,9,12,15)/t4-/m1/s1.
What are the key properties of (2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid?
(2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid has a molecular weight of 214.18 g/mol, XLogP of -2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid is sourced from PubChem (CID 10398314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).