1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea

C17H18N6O — CID 86994772

IUPAC1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea
SMILESCN(CCc1ccccn1)C(=O)Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C17H18N6O/c1-22(13-9-14-4-2-3-10-18-14)17(24)21-15-5-7-16(8-6-15)23-19-11-12-20-23/h2-8,10-12H,9,13H2,1H3,(H,21,24)
InChIKeyRXYNAPPQNMXDGV-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.37
Rot. Bonds5

About 1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea

1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea (PubChem CID 86994772) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea
PubChem CID86994772
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea
SMILESCN(CCc1ccccn1)C(=O)Nc1ccc(-n2nccn2)cc1
InChIInChI=1S/C17H18N6O/c1-22(13-9-14-4-2-3-10-18-14)17(24)21-15-5-7-16(8-6-15)23-19-11-12-20-23/h2-8,10-12H,9,13H2,1H3,(H,21,24)
InChIKeyRXYNAPPQNMXDGV-UHFFFAOYSA-N
XLogP2.37
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-cyclopentylsulfonylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86988743
3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86987284
1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea
CID 87010519
3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 16612937
2-methoxy-N-[4-methyl-3-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]phenyl]acetamide
CID 72842851
3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47393550
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 91652991
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid
CID 61196298
3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86862798
3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 23994401

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea?
The IUPAC name of 1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea (CID 86994772) is 1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea?
The canonical SMILES for 1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea is CN(CCc1ccccn1)C(=O)Nc1ccc(-n2nccn2)cc1.
What is the InChIKey of 1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea?
The InChIKey is RXYNAPPQNMXDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-22(13-9-14-4-2-3-10-18-14)17(24)21-15-5-7-16(8-6-15)23-19-11-12-20-23/h2-8,10-12H,9,13H2,1H3,(H,21,24).
What are the key properties of 1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea?
1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea has a molecular weight of 322.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea is sourced from PubChem (CID 86994772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).