1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea

C15H15N5O — CID 53014321

IUPAC1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
SMILESCc1nnc2ccc(NC(=O)NCc3ccccc3)cn12
InChIInChI=1S/C15H15N5O/c1-11-18-19-14-8-7-13(10-20(11)14)17-15(21)16-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,16,17,21)
InChIKeyQMPBQCJGBHFSES-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.36
Rot. Bonds3

About 1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea

1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea (PubChem CID 53014321) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
PubChem CID53014321
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
SMILESCc1nnc2ccc(NC(=O)NCc3ccccc3)cn12
InChIInChI=1S/C15H15N5O/c1-11-18-19-14-8-7-13(10-20(11)14)17-15(21)16-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,16,17,21)
InChIKeyQMPBQCJGBHFSES-UHFFFAOYSA-N
XLogP2.36
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 53014329
3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 47090674
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
1-benzyl-3-(6-bromo-3-pyridinyl)urea
CID 110605118
1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
CID 32521055
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577464
N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide
CID 32537851
1-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 51290333
1-benzyl-3-(2,6-dimethylphenyl)urea
CID 2823182
1-benzyl-3-(4-methylidenearsanylphenyl)urea
CID 158613945
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The IUPAC name of 1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea (CID 53014321) is 1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The canonical SMILES for 1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea is Cc1nnc2ccc(NC(=O)NCc3ccccc3)cn12.
What is the InChIKey of 1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The InChIKey is QMPBQCJGBHFSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11-18-19-14-8-7-13(10-20(11)14)17-15(21)16-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,16,17,21).
What are the key properties of 1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea has a molecular weight of 281.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea is sourced from PubChem (CID 53014321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).