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

C13H18N6O — CID 96997624

IUPAC1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
SMILESCCn1cnnc1CNC(=O)N[C@H](C)c1cccnc1
InChIInChI=1S/C13H18N6O/c1-3-19-9-16-18-12(19)8-15-13(20)17-10(2)11-5-4-6-14-7-11/h4-7,9-10H,3,8H2,1-2H3,(H2,15,17,20)/t10-/m1/s1
InChIKeyLQNSKJWTTAZUSE-SNVBAGLBSA-N
MW274.33 g/mol
LogP1.25
Rot. Bonds5

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

1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea (PubChem CID 96997624) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
PubChem CID96997624
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
SMILESCCn1cnnc1CNC(=O)N[C@H](C)c1cccnc1
InChIInChI=1S/C13H18N6O/c1-3-19-9-16-18-12(19)8-15-13(20)17-10(2)11-5-4-6-14-7-11/h4-7,9-10H,3,8H2,1-2H3,(H2,15,17,20)/t10-/m1/s1
InChIKeyLQNSKJWTTAZUSE-SNVBAGLBSA-N
XLogP1.25
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea with MolForge

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Related Compounds

1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 51081781
1-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 97089227
1-[(4-methylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 94028539
1-(1,3-diphenylpropyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 51122173
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94120154
2-methyl-3-(1-pyridin-3-ylethylcarbamoylamino)propanoic acid
CID 62670638
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
1-[(3-bromothiophen-2-yl)methyl]-3-(1-pyridin-3-ylethyl)urea
CID 122160095
(2R)-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 97207664
(2S)-3-methyl-2-(1-pyridin-3-ylethylcarbamoylamino)pentanoic acid
CID 61198650
(2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 114170925

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea?
The IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea (CID 96997624) is 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea is CCn1cnnc1CNC(=O)N[C@H](C)c1cccnc1.
What is the InChIKey of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea?
The InChIKey is LQNSKJWTTAZUSE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N6O/c1-3-19-9-16-18-12(19)8-15-13(20)17-10(2)11-5-4-6-14-7-11/h4-7,9-10H,3,8H2,1-2H3,(H2,15,17,20)/t10-/m1/s1.
What are the key properties of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea?
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea has a molecular weight of 274.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-pyridin-3-ylethyl]urea is sourced from PubChem (CID 96997624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).