1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea

C12H15N5O2 — CID 97158674

IUPAC1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCOc1ccccc1NC(=O)N[C@H](C)c1ncn[nH]1
InChIInChI=1S/C12H15N5O2/c1-8(11-13-7-14-17-11)15-12(18)16-9-5-3-4-6-10(9)19-2/h3-8H,1-2H3,(H,13,14,17)(H2,15,16,18)/t8-/m1/s1
InChIKeyFGXNUQQKIGVOHO-MRVPVSSYSA-N
MW261.29 g/mol
LogP1.70
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea

1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea (PubChem CID 97158674) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
PubChem CID97158674
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCOc1ccccc1NC(=O)N[C@H](C)c1ncn[nH]1
InChIInChI=1S/C12H15N5O2/c1-8(11-13-7-14-17-11)15-12(18)16-9-5-3-4-6-10(9)19-2/h3-8H,1-2H3,(H,13,14,17)(H2,15,16,18)/t8-/m1/s1
InChIKeyFGXNUQQKIGVOHO-MRVPVSSYSA-N
XLogP1.70
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103886618
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-(2-chloro-3-pyridinyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 97158665
2-hydroxy-3-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]benzoic acid
CID 106283408
1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 75518109
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318
1-(2-methoxyphenyl)-3-[3-(1H-1,2,4-triazol-5-yl)propyl]urea
CID 64529656
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
CID 78998444
N-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide
CID 50971628
5-fluoro-2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]benzoic acid
CID 106283385
1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 133204349

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea (CID 97158674) is 1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea is COc1ccccc1NC(=O)N[C@H](C)c1ncn[nH]1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The InChIKey is FGXNUQQKIGVOHO-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8(11-13-7-14-17-11)15-12(18)16-9-5-3-4-6-10(9)19-2/h3-8H,1-2H3,(H,13,14,17)(H2,15,16,18)/t8-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea has a molecular weight of 261.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea is sourced from PubChem (CID 97158674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).