1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea

C12H22N6O2 — CID 95153196

IUPAC1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
SMILESC[C@@H](NC(=O)NCCN1CCOCC1)c1nncn1C
InChIInChI=1S/C12H22N6O2/c1-10(11-16-14-9-17(11)2)15-12(19)13-3-4-18-5-7-20-8-6-18/h9-10H,3-8H2,1-2H3,(H2,13,15,19)/t10-/m1/s1
InChIKeyYQCMXCVJUJMEQL-SNVBAGLBSA-N
MW282.35 g/mol
LogP-0.49
Rot. Bonds5

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

1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 95153196) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID95153196
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
SMILESC[C@@H](NC(=O)NCCN1CCOCC1)c1nncn1C
InChIInChI=1S/C12H22N6O2/c1-10(11-16-14-9-17(11)2)15-12(19)13-3-4-18-5-7-20-8-6-18/h9-10H,3-8H2,1-2H3,(H2,13,15,19)/t10-/m1/s1
InChIKeyYQCMXCVJUJMEQL-SNVBAGLBSA-N
XLogP-0.49
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 95134046
1-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94030429
1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 98798195
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 71893294
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 94027153
2-hydroxy-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 66165937
2-[[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 62117206
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 51077475
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108871039
1-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 98752904
1-[3-(4-methylphenoxy)propyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95273150
1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95130552

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea (CID 95153196) is 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea is C[C@@H](NC(=O)NCCN1CCOCC1)c1nncn1C.
What is the InChIKey of 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is YQCMXCVJUJMEQL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-10(11-16-14-9-17(11)2)15-12(19)13-3-4-18-5-7-20-8-6-18/h9-10H,3-8H2,1-2H3,(H2,13,15,19)/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea?
1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 282.35 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 95153196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).