methyl 3-amino-1,2,4-triazine-5-carboxylate

C5H6N4O2 — CID 105430024

IUPACmethyl 3-amino-1,2,4-triazine-5-carboxylate
SMILESCOC(=O)c1cnnc(N)n1
InChIInChI=1S/C5H6N4O2/c1-11-4(10)3-2-7-9-5(6)8-3/h2H,1H3,(H2,6,8,9)
InChIKeyWDSUPSGIFCVXIA-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.76
Rot. Bonds1

About methyl 3-amino-1,2,4-triazine-5-carboxylate

methyl 3-amino-1,2,4-triazine-5-carboxylate (PubChem CID 105430024) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is methyl 3-amino-1,2,4-triazine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1,2,4-triazine-5-carboxylate
PubChem CID105430024
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Namemethyl 3-amino-1,2,4-triazine-5-carboxylate
SMILESCOC(=O)c1cnnc(N)n1
InChIInChI=1S/C5H6N4O2/c1-11-4(10)3-2-7-9-5(6)8-3/h2H,1H3,(H2,6,8,9)
InChIKeyWDSUPSGIFCVXIA-UHFFFAOYSA-N
XLogP-0.76
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-6-methylpyrimidine-4-carboxylate
CID 818455
methyl 5-chloropyridazine-3-carboxylate
CID 131699995
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 6-(aminomethyl)pyrazine-2-carboxylate
CID 58009434
methyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate
CID 44630672
methyl 6-bromopyrazine-2-carboxylate
CID 52988070
N-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide
CID 82483873
methyl 4-aminopyridazine-3-carboxylate
CID 166610770
methyl 5-amino-6-iodopyridine-2-carboxylate
CID 53485922
methyl 5-amino-2-methylpyrimidine-4-carboxylate
CID 84717183
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 6-(4-aminopyrazol-1-yl)pyrazine-2-carboxylate
CID 66456212

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1,2,4-triazine-5-carboxylate?
The IUPAC name of methyl 3-amino-1,2,4-triazine-5-carboxylate (CID 105430024) is methyl 3-amino-1,2,4-triazine-5-carboxylate.
What is the SMILES notation for methyl 3-amino-1,2,4-triazine-5-carboxylate?
The canonical SMILES for methyl 3-amino-1,2,4-triazine-5-carboxylate is COC(=O)c1cnnc(N)n1.
What is the InChIKey of methyl 3-amino-1,2,4-triazine-5-carboxylate?
The InChIKey is WDSUPSGIFCVXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c1-11-4(10)3-2-7-9-5(6)8-3/h2H,1H3,(H2,6,8,9).
What are the key properties of methyl 3-amino-1,2,4-triazine-5-carboxylate?
methyl 3-amino-1,2,4-triazine-5-carboxylate has a molecular weight of 154.13 g/mol, XLogP of -0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1,2,4-triazine-5-carboxylate is sourced from PubChem (CID 105430024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).