1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea

C14H20N6O — CID 62103619

IUPAC1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCNC(C)c1cccc(NC(=O)NCc2nncn2C)c1
InChIInChI=1S/C14H20N6O/c1-10(15-2)11-5-4-6-12(7-11)18-14(21)16-8-13-19-17-9-20(13)3/h4-7,9-10,15H,8H2,1-3H3,(H2,16,18,21)
InChIKeyDAVHSNRTUICJAT-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.42
Rot. Bonds5

About 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea

1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 62103619) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID62103619
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCNC(C)c1cccc(NC(=O)NCc2nncn2C)c1
InChIInChI=1S/C14H20N6O/c1-10(15-2)11-5-4-6-12(7-11)18-14(21)16-8-13-19-17-9-20(13)3/h4-7,9-10,15H,8H2,1-3H3,(H2,16,18,21)
InChIKeyDAVHSNRTUICJAT-UHFFFAOYSA-N
XLogP1.42
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295845
1-(3-aminophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 62117941
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 78891330
1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 61340343
1-[3-[1-(methylamino)ethyl]phenyl]-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 64523966
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295753
1-[3-[1-(methylamino)ethyl]phenyl]-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
CID 106383259
2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide
CID 106240894
3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzoic acid
CID 63330396
1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61341261
1-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 97023278

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea (CID 62103619) is 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea is CNC(C)c1cccc(NC(=O)NCc2nncn2C)c1.
What is the InChIKey of 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is DAVHSNRTUICJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10(15-2)11-5-4-6-12(7-11)18-14(21)16-8-13-19-17-9-20(13)3/h4-7,9-10,15H,8H2,1-3H3,(H2,16,18,21).
What are the key properties of 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea?
1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 288.36 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 62103619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).