2-(1,3,5-triazin-2-ylamino)acetic acid

C5H6N4O2 — CID 90991817

IUPAC2-(1,3,5-triazin-2-ylamino)acetic acid
SMILESO=C(O)CNc1ncncn1
InChIInChI=1S/C5H6N4O2/c10-4(11)1-7-5-8-2-6-3-9-5/h2-3H,1H2,(H,10,11)(H,6,7,8,9)
InChIKeyBVUJHWZSTDKQMN-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.63
Rot. Bonds3

About 2-(1,3,5-triazin-2-ylamino)acetic acid

2-(1,3,5-triazin-2-ylamino)acetic acid (PubChem CID 90991817) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-(1,3,5-triazin-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-(1,3,5-triazin-2-ylamino)acetic acid
PubChem CID90991817
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name2-(1,3,5-triazin-2-ylamino)acetic acid
SMILESO=C(O)CNc1ncncn1
InChIInChI=1S/C5H6N4O2/c10-4(11)1-7-5-8-2-6-3-9-5/h2-3H,1H2,(H,10,11)(H,6,7,8,9)
InChIKeyBVUJHWZSTDKQMN-UHFFFAOYSA-N
XLogP-0.63
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-triazin-2-ylamino)acetic acid?
The IUPAC name of 2-(1,3,5-triazin-2-ylamino)acetic acid (CID 90991817) is 2-(1,3,5-triazin-2-ylamino)acetic acid.
What is the SMILES notation for 2-(1,3,5-triazin-2-ylamino)acetic acid?
The canonical SMILES for 2-(1,3,5-triazin-2-ylamino)acetic acid is O=C(O)CNc1ncncn1.
What is the InChIKey of 2-(1,3,5-triazin-2-ylamino)acetic acid?
The InChIKey is BVUJHWZSTDKQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c10-4(11)1-7-5-8-2-6-3-9-5/h2-3H,1H2,(H,10,11)(H,6,7,8,9).
What are the key properties of 2-(1,3,5-triazin-2-ylamino)acetic acid?
2-(1,3,5-triazin-2-ylamino)acetic acid has a molecular weight of 154.13 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-triazin-2-ylamino)acetic acid is sourced from PubChem (CID 90991817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).