6-amino-1,3,5-triazine-2,4-dicarboxamide

C5H6N6O2 — CID 67444323

IUPAC6-amino-1,3,5-triazine-2,4-dicarboxamide
SMILESNC(=O)c1nc(N)nc(C(N)=O)n1
InChIInChI=1S/C5H6N6O2/c6-1(12)3-9-4(2(7)13)11-5(8)10-3/h(H2,6,12)(H2,7,13)(H2,8,9,10,11)
InChIKeyNURUYVLZEUUJQS-UHFFFAOYSA-N
MW182.14 g/mol
LogP-2.35
Rot. Bonds2

About 6-amino-1,3,5-triazine-2,4-dicarboxamide

6-amino-1,3,5-triazine-2,4-dicarboxamide (PubChem CID 67444323) has the molecular formula C5H6N6O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 6-amino-1,3,5-triazine-2,4-dicarboxamide.

Molecular Properties

Compound Name6-amino-1,3,5-triazine-2,4-dicarboxamide
PubChem CID67444323
Molecular FormulaC5H6N6O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name6-amino-1,3,5-triazine-2,4-dicarboxamide
SMILESNC(=O)c1nc(N)nc(C(N)=O)n1
InChIInChI=1S/C5H6N6O2/c6-1(12)3-9-4(2(7)13)11-5(8)10-3/h(H2,6,12)(H2,7,13)(H2,8,9,10,11)
InChIKeyNURUYVLZEUUJQS-UHFFFAOYSA-N
XLogP-2.35
TPSA150.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
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 6-amino-1,3,5-triazine-2,4-dicarboxamide?
The IUPAC name of 6-amino-1,3,5-triazine-2,4-dicarboxamide (CID 67444323) is 6-amino-1,3,5-triazine-2,4-dicarboxamide.
What is the SMILES notation for 6-amino-1,3,5-triazine-2,4-dicarboxamide?
The canonical SMILES for 6-amino-1,3,5-triazine-2,4-dicarboxamide is NC(=O)c1nc(N)nc(C(N)=O)n1.
What is the InChIKey of 6-amino-1,3,5-triazine-2,4-dicarboxamide?
The InChIKey is NURUYVLZEUUJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6O2/c6-1(12)3-9-4(2(7)13)11-5(8)10-3/h(H2,6,12)(H2,7,13)(H2,8,9,10,11).
What are the key properties of 6-amino-1,3,5-triazine-2,4-dicarboxamide?
6-amino-1,3,5-triazine-2,4-dicarboxamide has a molecular weight of 182.14 g/mol, XLogP of -2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3,5-triazine-2,4-dicarboxamide is sourced from PubChem (CID 67444323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).