1-(1-ethyltetrazol-5-yl)-3-(4-hydroxy-1-phenylbutyl)urea

C14H20N6O2 — CID 126831093

IUPAC1-(1-ethyltetrazol-5-yl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESCCn1nnnc1NC(=O)NC(CCCO)c1ccccc1
InChIInChI=1S/C14H20N6O2/c1-2-20-13(17-18-19-20)16-14(22)15-12(9-6-10-21)11-7-4-3-5-8-11/h3-5,7-8,12,21H,2,6,9-10H2,1H3,(H2,15,16,17,19,22)
InChIKeyJLUKIDBLOQFJGU-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.33
Rot. Bonds7

About 1-(1-ethyltetrazol-5-yl)-3-(4-hydroxy-1-phenylbutyl)urea

1-(1-ethyltetrazol-5-yl)-3-(4-hydroxy-1-phenylbutyl)urea (PubChem CID 126831093) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(1-ethyltetrazol-5-yl)-3-(4-hydroxy-1-phenylbutyl)urea.

Molecular Properties

Compound Name1-(1-ethyltetrazol-5-yl)-3-(4-hydroxy-1-phenylbutyl)urea
PubChem CID126831093
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name1-(1-ethyltetrazol-5-yl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESCCn1nnnc1NC(=O)NC(CCCO)c1ccccc1
InChIInChI=1S/C14H20N6O2/c1-2-20-13(17-18-19-20)16-14(22)15-12(9-6-10-21)11-7-4-3-5-8-11/h3-5,7-8,12,21H,2,6,9-10H2,1H3,(H2,15,16,17,19,22)
InChIKeyJLUKIDBLOQFJGU-UHFFFAOYSA-N
XLogP1.33
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111475690
1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea
CID 111486785
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea
CID 126820410
1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452920
1-(4-hydroxy-1-phenylbutyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111454513
1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea
CID 111450237
1-(4-hydroxy-1-phenylbutyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 111454047
1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450262
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea
CID 111475375
1-(4-hydroxy-1-phenylbutyl)-3-(3-methyl-1,2-benzoxazol-6-yl)urea
CID 127267207
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyltetrazol-5-yl)-3-(4-hydroxy-1-phenylbutyl)urea?
The IUPAC name of 1-(1-ethyltetrazol-5-yl)-3-(4-hydroxy-1-phenylbutyl)urea (CID 126831093) is 1-(1-ethyltetrazol-5-yl)-3-(4-hydroxy-1-phenylbutyl)urea.
What is the SMILES notation for 1-(1-ethyltetrazol-5-yl)-3-(4-hydroxy-1-phenylbutyl)urea?
The canonical SMILES for 1-(1-ethyltetrazol-5-yl)-3-(4-hydroxy-1-phenylbutyl)urea is CCn1nnnc1NC(=O)NC(CCCO)c1ccccc1.
What is the InChIKey of 1-(1-ethyltetrazol-5-yl)-3-(4-hydroxy-1-phenylbutyl)urea?
The InChIKey is JLUKIDBLOQFJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-2-20-13(17-18-19-20)16-14(22)15-12(9-6-10-21)11-7-4-3-5-8-11/h3-5,7-8,12,21H,2,6,9-10H2,1H3,(H2,15,16,17,19,22).
What are the key properties of 1-(1-ethyltetrazol-5-yl)-3-(4-hydroxy-1-phenylbutyl)urea?
1-(1-ethyltetrazol-5-yl)-3-(4-hydroxy-1-phenylbutyl)urea has a molecular weight of 304.35 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyltetrazol-5-yl)-3-(4-hydroxy-1-phenylbutyl)urea is sourced from PubChem (CID 126831093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).