1-[2-(dimethylamino)ethyl]-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylurea

C12H22N6O — CID 57056543

IUPAC1-[2-(dimethylamino)ethyl]-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylurea
SMILESCc1nnc(N(CCN(C)C)C(=O)N(C)C)nc1C
InChIInChI=1S/C12H22N6O/c1-9-10(2)14-15-11(13-9)18(8-7-16(3)4)12(19)17(5)6/h7-8H2,1-6H3
InChIKeySCWRVDLLVSLZHQ-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.54
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylurea

1-[2-(dimethylamino)ethyl]-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylurea (PubChem CID 57056543) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylurea
PubChem CID57056543
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name1-[2-(dimethylamino)ethyl]-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylurea
SMILESCc1nnc(N(CCN(C)C)C(=O)N(C)C)nc1C
InChIInChI=1S/C12H22N6O/c1-9-10(2)14-15-11(13-9)18(8-7-16(3)4)12(19)17(5)6/h7-8H2,1-6H3
InChIKeySCWRVDLLVSLZHQ-UHFFFAOYSA-N
XLogP0.54
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylurea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylurea (CID 57056543) is 1-[2-(dimethylamino)ethyl]-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylurea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylurea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylurea is Cc1nnc(N(CCN(C)C)C(=O)N(C)C)nc1C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylurea?
The InChIKey is SCWRVDLLVSLZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-9-10(2)14-15-11(13-9)18(8-7-16(3)4)12(19)17(5)6/h7-8H2,1-6H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylurea?
1-[2-(dimethylamino)ethyl]-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylurea has a molecular weight of 266.35 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,3-dimethylurea is sourced from PubChem (CID 57056543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).