(4,6-diamino-1,3,5-triazin-2-yl) acetate

C5H7N5O2 — CID 175605580

IUPAC(4,6-diamino-1,3,5-triazin-2-yl) acetate
SMILESCC(=O)Oc1nc(N)nc(N)n1
InChIInChI=1S/C5H7N5O2/c1-2(11)12-5-9-3(6)8-4(7)10-5/h1H3,(H4,6,7,8,9,10)
InChIKeyXCPMOJHIMKYMMB-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.04
Rot. Bonds1

About (4,6-diamino-1,3,5-triazin-2-yl) acetate

(4,6-diamino-1,3,5-triazin-2-yl) acetate (PubChem CID 175605580) has the molecular formula C5H7N5O2 and a molecular weight of 169.14 g/mol. Its IUPAC name is (4,6-diamino-1,3,5-triazin-2-yl) acetate.

Molecular Properties

Compound Name(4,6-diamino-1,3,5-triazin-2-yl) acetate
PubChem CID175605580
Molecular FormulaC5H7N5O2
Molecular Weight169.14 g/mol
Exact Mass169.06
IUPAC Name(4,6-diamino-1,3,5-triazin-2-yl) acetate
SMILESCC(=O)Oc1nc(N)nc(N)n1
InChIInChI=1S/C5H7N5O2/c1-2(11)12-5-9-3(6)8-4(7)10-5/h1H3,(H4,6,7,8,9,10)
InChIKeyXCPMOJHIMKYMMB-UHFFFAOYSA-N
XLogP-1.04
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Acetic acid--1,3,5-triazine-2,4,6-triamine (1/1)
CID 68833760
(4,6-Diacetyloxy-1,3,5-triazin-2-yl) acetate
CID 527095
Ethyl carbamate;1,3,5-triazine-2,4,6-triamine
CID 21960684
Sodium 4,6-diacetyloxy-1,3,5-triazin-2-olate
CID 23718703
(4,6-Dimethoxy-1,3,5-triazin-2-yl) acetate
CID 58220548
Acetic acid;1,3,5-triazine-2,4,6-triamine
CID 85726043
Acetic acid;1,3,5-triazine-2,4,6-triamine;urea
CID 159069551
Ethyl acetate;1,3,5-triazine-2,4,6-triamine
CID 161324357
Azanium;1,3,5-triazine-2,4,6-triamine;acetate
CID 162300340
[(4,6-Diamino-1,3,5-triazin-2-yl)amino]methyl acetate
CID 174761395
Acetic acid;azane;1,3,5-triazine-2,4,6-triamine
CID 174848447
Acetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine
CID 175210382

Frequently Asked Questions

What is the IUPAC name of (4,6-diamino-1,3,5-triazin-2-yl) acetate?
The IUPAC name of (4,6-diamino-1,3,5-triazin-2-yl) acetate (CID 175605580) is (4,6-diamino-1,3,5-triazin-2-yl) acetate.
What is the SMILES notation for (4,6-diamino-1,3,5-triazin-2-yl) acetate?
The canonical SMILES for (4,6-diamino-1,3,5-triazin-2-yl) acetate is CC(=O)Oc1nc(N)nc(N)n1.
What is the InChIKey of (4,6-diamino-1,3,5-triazin-2-yl) acetate?
The InChIKey is XCPMOJHIMKYMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2/c1-2(11)12-5-9-3(6)8-4(7)10-5/h1H3,(H4,6,7,8,9,10).
What are the key properties of (4,6-diamino-1,3,5-triazin-2-yl) acetate?
(4,6-diamino-1,3,5-triazin-2-yl) acetate has a molecular weight of 169.14 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diamino-1,3,5-triazin-2-yl) acetate is sourced from PubChem (CID 175605580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).