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

C12H15N5O2 — CID 75435257

IUPAC1-[2-(3-hydroxyphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
SMILESCn1ncnc1NC(=O)NCCc1cccc(O)c1
InChIInChI=1S/C12H15N5O2/c1-17-11(14-8-15-17)16-12(19)13-6-5-9-3-2-4-10(18)7-9/h2-4,7-8,18H,5-6H2,1H3,(H2,13,14,15,16,19)
InChIKeyXCMMMCLEILJKBL-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.88
Rot. Bonds4

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

1-[2-(3-hydroxyphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea (PubChem CID 75435257) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-[2-(3-hydroxyphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(3-hydroxyphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
PubChem CID75435257
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name1-[2-(3-hydroxyphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
SMILESCn1ncnc1NC(=O)NCCc1cccc(O)c1
InChIInChI=1S/C12H15N5O2/c1-17-11(14-8-15-17)16-12(19)13-6-5-9-3-2-4-10(18)7-9/h2-4,7-8,18H,5-6H2,1H3,(H2,13,14,15,16,19)
InChIKeyXCMMMCLEILJKBL-UHFFFAOYSA-N
XLogP0.88
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]phenyl]propanoic acid
CID 115341020
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid
CID 104686854
N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide
CID 110482144
1-(3-methylbut-2-enyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 99836088
1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 86883297
1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea
CID 99816188
N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide
CID 141064187
N-[2-(3-hydroxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110483053
tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate
CID 10640703
1-[2-(3-hydroxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60602886
N-[2-(3-hydroxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 110482292

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxyphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-[2-(3-hydroxyphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea (CID 75435257) is 1-[2-(3-hydroxyphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-[2-(3-hydroxyphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-[2-(3-hydroxyphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea is Cn1ncnc1NC(=O)NCCc1cccc(O)c1.
What is the InChIKey of 1-[2-(3-hydroxyphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The InChIKey is XCMMMCLEILJKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-17-11(14-8-15-17)16-12(19)13-6-5-9-3-2-4-10(18)7-9/h2-4,7-8,18H,5-6H2,1H3,(H2,13,14,15,16,19).
What are the key properties of 1-[2-(3-hydroxyphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea?
1-[2-(3-hydroxyphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea has a molecular weight of 261.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxyphenyl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 75435257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).