2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide

C7H12N6O — CID 126979187

IUPAC2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1ncnc(N)n1
InChIInChI=1S/C7H12N6O/c1-2-9-5(14)3-10-7-12-4-11-6(8)13-7/h4H,2-3H2,1H3,(H,9,14)(H3,8,10,11,12,13)
InChIKeyXYCQDZWXSVSNEI-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.00
Rot. Bonds4

About 2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide

2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide (PubChem CID 126979187) has the molecular formula C7H12N6O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
PubChem CID126979187
Molecular FormulaC7H12N6O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1ncnc(N)n1
InChIInChI=1S/C7H12N6O/c1-2-9-5(14)3-10-7-12-4-11-6(8)13-7/h4H,2-3H2,1H3,(H,9,14)(H3,8,10,11,12,13)
InChIKeyXYCQDZWXSVSNEI-UHFFFAOYSA-N
XLogP-1.00
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide (CID 126979187) is 2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide is CCNC(=O)CNc1ncnc(N)n1.
What is the InChIKey of 2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide?
The InChIKey is XYCQDZWXSVSNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O/c1-2-9-5(14)3-10-7-12-4-11-6(8)13-7/h4H,2-3H2,1H3,(H,9,14)(H3,8,10,11,12,13).
What are the key properties of 2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide?
2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide has a molecular weight of 196.21 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3,5-triazin-2-yl)amino]-N-ethylacetamide is sourced from PubChem (CID 126979187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).