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

C21H25N5O — CID 51122173

IUPAC1-(1,3-diphenylpropyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCCn1cnnc1CNC(=O)NC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N5O/c1-2-26-16-23-25-20(26)15-22-21(27)24-19(18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-12,16,19H,2,13-15H2,1H3,(H2,22,24,27)
InChIKeyJRVXYGWRJFZTSC-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.47
Rot. Bonds8

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

1-(1,3-diphenylpropyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 51122173) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-(1,3-diphenylpropyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(1,3-diphenylpropyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID51122173
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-(1,3-diphenylpropyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCCn1cnnc1CNC(=O)NC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N5O/c1-2-26-16-23-25-20(26)15-22-21(27)24-19(18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-12,16,19H,2,13-15H2,1H3,(H2,22,24,27)
InChIKeyJRVXYGWRJFZTSC-UHFFFAOYSA-N
XLogP3.47
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylbutanamide
CID 106302587
(2S)-2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119855013
(3S)-3-acetamido-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 95155438
(2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 114170925
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119855008
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 96997624
1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 51081781
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 94821206
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 111508991
N-[(1S)-1,3-diphenylpropyl]propanamide
CID 138984444
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylhexan-1-amine
CID 103777679
2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 106303816

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diphenylpropyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 1-(1,3-diphenylpropyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea (CID 51122173) is 1-(1,3-diphenylpropyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(1,3-diphenylpropyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 1-(1,3-diphenylpropyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea is CCn1cnnc1CNC(=O)NC(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1,3-diphenylpropyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is JRVXYGWRJFZTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-26-16-23-25-20(26)15-22-21(27)24-19(18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-12,16,19H,2,13-15H2,1H3,(H2,22,24,27).
What are the key properties of 1-(1,3-diphenylpropyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea?
1-(1,3-diphenylpropyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 363.47 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diphenylpropyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 51122173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).