2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl 2-(diaminomethylideneamino)acetate

C10H17N7O2 — CID 164942782

IUPAC2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl 2-(diaminomethylideneamino)acetate
SMILESCN(C)c1ncnc(CCOC(=O)CN=C(N)N)n1
InChIInChI=1S/C10H17N7O2/c1-17(2)10-15-6-14-7(16-10)3-4-19-8(18)5-13-9(11)12/h6H,3-5H2,1-2H3,(H4,11,12,13)
InChIKeyISKQANMRPOGDGM-UHFFFAOYSA-N
MW267.29 g/mol
LogP-1.70
Rot. Bonds6

About 2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl 2-(diaminomethylideneamino)acetate

2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl 2-(diaminomethylideneamino)acetate (PubChem CID 164942782) has the molecular formula C10H17N7O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl 2-(diaminomethylideneamino)acetate.

Molecular Properties

Compound Name2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl 2-(diaminomethylideneamino)acetate
PubChem CID164942782
Molecular FormulaC10H17N7O2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl 2-(diaminomethylideneamino)acetate
SMILESCN(C)c1ncnc(CCOC(=O)CN=C(N)N)n1
InChIInChI=1S/C10H17N7O2/c1-17(2)10-15-6-14-7(16-10)3-4-19-8(18)5-13-9(11)12/h6H,3-5H2,1-2H3,(H4,11,12,13)
InChIKeyISKQANMRPOGDGM-UHFFFAOYSA-N
XLogP-1.70
TPSA132.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl 2-(diaminomethylideneamino)acetate?
The IUPAC name of 2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl 2-(diaminomethylideneamino)acetate (CID 164942782) is 2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl 2-(diaminomethylideneamino)acetate.
What is the SMILES notation for 2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl 2-(diaminomethylideneamino)acetate?
The canonical SMILES for 2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl 2-(diaminomethylideneamino)acetate is CN(C)c1ncnc(CCOC(=O)CN=C(N)N)n1.
What is the InChIKey of 2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl 2-(diaminomethylideneamino)acetate?
The InChIKey is ISKQANMRPOGDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O2/c1-17(2)10-15-6-14-7(16-10)3-4-19-8(18)5-13-9(11)12/h6H,3-5H2,1-2H3,(H4,11,12,13).
What are the key properties of 2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl 2-(diaminomethylideneamino)acetate?
2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl 2-(diaminomethylideneamino)acetate has a molecular weight of 267.29 g/mol, XLogP of -1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethyl 2-(diaminomethylideneamino)acetate is sourced from PubChem (CID 164942782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).