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

C5H8N6O — CID 5069845

IUPAC2-(4,6-diamino-1,3,5-triazin-2-yl)acetamide
SMILESNC(=O)Cc1nc(N)nc(N)n1
InChIInChI=1S/C5H8N6O/c6-2(12)1-3-9-4(7)11-5(8)10-3/h1H2,(H2,6,12)(H4,7,8,9,10,11)
InChIKeyCCUAOWWSXYYEPW-UHFFFAOYSA-N
MW168.16 g/mol
LogP-1.94
Rot. Bonds2

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

2-(4,6-diamino-1,3,5-triazin-2-yl)acetamide (PubChem CID 5069845) has the molecular formula C5H8N6O and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-(4,6-diamino-1,3,5-triazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-diamino-1,3,5-triazin-2-yl)acetamide
PubChem CID5069845
Molecular FormulaC5H8N6O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name2-(4,6-diamino-1,3,5-triazin-2-yl)acetamide
SMILESNC(=O)Cc1nc(N)nc(N)n1
InChIInChI=1S/C5H8N6O/c6-2(12)1-3-9-4(7)11-5(8)10-3/h1H2,(H2,6,12)(H4,7,8,9,10,11)
InChIKeyCCUAOWWSXYYEPW-UHFFFAOYSA-N
XLogP-1.94
TPSA133.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-amino-6-methyl-1,3,5-triazin-2-yl)acetamide
CID 34935
Acetamide, N-(4-amino-6-propyl-1,3,5-triazin-2-yl)-
CID 190423
3-(4,6-Diamino-1,3,5-triazin-2-yl)propanamide
CID 232991
N-(4-amino-6-propyl-1,3,5-triazin-2-yl)propanamide
CID 13574307
N,N-dibromo-2-(4,6-diamino-1,3,5-triazin-2-yl)acetamide
CID 20487995
2-(1,3,5-Triazin-2-yl)acetamide
CID 23592447
2-(4-Amino-1,3,5-triazin-2-yl)acetamide
CID 53935695
N-[4-methyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
CID 118672144
2-(1,3,5-Triazin-2-yl)propanamide
CID 175819510
1-(4,6-Diamino-1,3,5-triazin-2-yl)propan-2-one
CID 34924
N-(4-amino-6-propyl-1,3,5-triazin-2-yl)butanamide
CID 13574308
2-(4-Amino-6-cyclopropyl-1,3,5-triazin-2-yl)acetamide
CID 63867148

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diamino-1,3,5-triazin-2-yl)acetamide?
The IUPAC name of 2-(4,6-diamino-1,3,5-triazin-2-yl)acetamide (CID 5069845) is 2-(4,6-diamino-1,3,5-triazin-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-diamino-1,3,5-triazin-2-yl)acetamide?
The canonical SMILES for 2-(4,6-diamino-1,3,5-triazin-2-yl)acetamide is NC(=O)Cc1nc(N)nc(N)n1.
What is the InChIKey of 2-(4,6-diamino-1,3,5-triazin-2-yl)acetamide?
The InChIKey is CCUAOWWSXYYEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O/c6-2(12)1-3-9-4(7)11-5(8)10-3/h1H2,(H2,6,12)(H4,7,8,9,10,11).
What are the key properties of 2-(4,6-diamino-1,3,5-triazin-2-yl)acetamide?
2-(4,6-diamino-1,3,5-triazin-2-yl)acetamide has a molecular weight of 168.16 g/mol, XLogP of -1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diamino-1,3,5-triazin-2-yl)acetamide is sourced from PubChem (CID 5069845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).