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

C16H23N5O2 — CID 51084332

IUPAC1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea
SMILESCCCOc1ccc(CNC(=O)NC(C)c2nncn2C)cc1
InChIInChI=1S/C16H23N5O2/c1-4-9-23-14-7-5-13(6-8-14)10-17-16(22)19-12(2)15-20-18-11-21(15)3/h5-8,11-12H,4,9-10H2,1-3H3,(H2,17,19,22)
InChIKeyUHZUTVDEFBNDNB-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.16
Rot. Bonds7

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

1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea (PubChem CID 51084332) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea
PubChem CID51084332
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea
SMILESCCCOc1ccc(CNC(=O)NC(C)c2nncn2C)cc1
InChIInChI=1S/C16H23N5O2/c1-4-9-23-14-7-5-13(6-8-14)10-17-16(22)19-12(2)15-20-18-11-21(15)3/h5-8,11-12H,4,9-10H2,1-3H3,(H2,17,19,22)
InChIKeyUHZUTVDEFBNDNB-UHFFFAOYSA-N
XLogP2.16
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(cyanomethyl)phenoxy]ethyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 167846028
1-[3-(4-methylphenoxy)propyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95273150
N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702990
2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide
CID 56796089
1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95192101
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94120050
1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[[2-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 94031329
1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 94114337
2-(4-aminophenoxy)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 62119169
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 71893294
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-propylbenzamide
CID 47403301
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 51084705

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea?
The IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea (CID 51084332) is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea?
The canonical SMILES for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea is CCCOc1ccc(CNC(=O)NC(C)c2nncn2C)cc1.
What is the InChIKey of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea?
The InChIKey is UHZUTVDEFBNDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-9-23-14-7-5-13(6-8-14)10-17-16(22)19-12(2)15-20-18-11-21(15)3/h5-8,11-12H,4,9-10H2,1-3H3,(H2,17,19,22).
What are the key properties of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea?
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea has a molecular weight of 317.39 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea is sourced from PubChem (CID 51084332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).