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

C8H15N7O — CID 19909968

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)-propylamino]acetamide
SMILESCCCN(CC(N)=O)c1nc(N)nc(N)n1
InChIInChI=1S/C8H15N7O/c1-2-3-15(4-5(9)16)8-13-6(10)12-7(11)14-8/h2-4H2,1H3,(H2,9,16)(H4,10,11,12,13,14)
InChIKeyQVPAPUXBQFZTMJ-UHFFFAOYSA-N
MW225.26 g/mol
LogP-1.26
Rot. Bonds5

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

2-[(4,6-diamino-1,3,5-triazin-2-yl)-propylamino]acetamide (PubChem CID 19909968) has the molecular formula C8H15N7O and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)-propylamino]acetamide.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)-propylamino]acetamide
PubChem CID19909968
Molecular FormulaC8H15N7O
Molecular Weight225.26 g/mol
Exact Mass225.13
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)-propylamino]acetamide
SMILESCCCN(CC(N)=O)c1nc(N)nc(N)n1
InChIInChI=1S/C8H15N7O/c1-2-3-15(4-5(9)16)8-13-6(10)12-7(11)14-8/h2-4H2,1H3,(H2,9,16)(H4,10,11,12,13,14)
InChIKeyQVPAPUXBQFZTMJ-UHFFFAOYSA-N
XLogP-1.26
TPSA137.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)-propylamino]acetamide?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)-propylamino]acetamide (CID 19909968) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)-propylamino]acetamide.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)-propylamino]acetamide?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)-propylamino]acetamide is CCCN(CC(N)=O)c1nc(N)nc(N)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)-propylamino]acetamide?
The InChIKey is QVPAPUXBQFZTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N7O/c1-2-3-15(4-5(9)16)8-13-6(10)12-7(11)14-8/h2-4H2,1H3,(H2,9,16)(H4,10,11,12,13,14).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)-propylamino]acetamide?
2-[(4,6-diamino-1,3,5-triazin-2-yl)-propylamino]acetamide has a molecular weight of 225.26 g/mol, XLogP of -1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)-propylamino]acetamide is sourced from PubChem (CID 19909968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).