1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

C18H25N5O2 — CID 111840673

IUPAC1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCCn1cnnc1-c1ccccc1NC(=O)NC1CCCC1(C)CO
InChIInChI=1S/C18H25N5O2/c1-3-23-12-19-22-16(23)13-7-4-5-8-14(13)20-17(25)21-15-9-6-10-18(15,2)11-24/h4-5,7-8,12,15,24H,3,6,9-11H2,1-2H3,(H2,20,21,25)
InChIKeyFXCWJSDXERMIAB-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.64
Rot. Bonds5

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

1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (PubChem CID 111840673) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.

Molecular Properties

Compound Name1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
PubChem CID111840673
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCCn1cnnc1-c1ccccc1NC(=O)NC1CCCC1(C)CO
InChIInChI=1S/C18H25N5O2/c1-3-23-12-19-22-16(23)13-7-4-5-8-14(13)20-17(25)21-15-9-6-10-18(15,2)11-24/h4-5,7-8,12,15,24H,3,6,9-11H2,1-2H3,(H2,20,21,25)
InChIKeyFXCWJSDXERMIAB-UHFFFAOYSA-N
XLogP2.64
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111472755
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472645
2-[ethyl-[3-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122079968
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536714
1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111474343
4-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]butanoic acid
CID 122079973
3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide
CID 119733331
1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473192
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119294822
1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473081
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea
CID 111486885
4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 120560664

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The IUPAC name of 1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (CID 111840673) is 1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.
What is the SMILES notation for 1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The canonical SMILES for 1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is CCn1cnnc1-c1ccccc1NC(=O)NC1CCCC1(C)CO.
What is the InChIKey of 1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The InChIKey is FXCWJSDXERMIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-23-12-19-22-16(23)13-7-4-5-8-14(13)20-17(25)21-15-9-6-10-18(15,2)11-24/h4-5,7-8,12,15,24H,3,6,9-11H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea has a molecular weight of 343.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is sourced from PubChem (CID 111840673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).