1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea

C10H13N5O — CID 3662418

IUPAC1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)Cn1nnc2ccccc21
InChIInChI=1S/C10H13N5O/c1-11-10(16)14(2)7-15-9-6-4-3-5-8(9)12-13-15/h3-6H,7H2,1-2H3,(H,11,16)
InChIKeyOUKIKYIERXKZTJ-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.66
Rot. Bonds2

About 1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea

1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea (PubChem CID 3662418) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea
PubChem CID3662418
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)Cn1nnc2ccccc21
InChIInChI=1S/C10H13N5O/c1-11-10(16)14(2)7-15-9-6-4-3-5-8(9)12-13-15/h3-6H,7H2,1-2H3,(H,11,16)
InChIKeyOUKIKYIERXKZTJ-UHFFFAOYSA-N
XLogP0.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(benzotriazol-1-ylmethyl)-1,3-dimethylurea
CID 3839558
2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane
CID 157371525
N'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide
CID 4312040
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 10377301
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
N'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide
CID 3839105
(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
CID 139088366
N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide
CID 3739588
sodium 2-(benzotriazol-1-yl)acetate
CID 23711121
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 47007781
N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline
CID 3575493

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea?
The IUPAC name of 1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea (CID 3662418) is 1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea.
What is the SMILES notation for 1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea?
The canonical SMILES for 1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea is CNC(=O)N(C)Cn1nnc2ccccc21.
What is the InChIKey of 1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea?
The InChIKey is OUKIKYIERXKZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-11-10(16)14(2)7-15-9-6-4-3-5-8(9)12-13-15/h3-6H,7H2,1-2H3,(H,11,16).
What are the key properties of 1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea?
1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea has a molecular weight of 219.25 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea is sourced from PubChem (CID 3662418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).