1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea

C11H18N8O — CID 97454722

IUPAC1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCn1cc(NC(=O)N[C@@H](C)c2ncnn2CC)nn1
InChIInChI=1S/C11H18N8O/c1-4-18-6-9(16-17-18)15-11(20)14-8(3)10-12-7-13-19(10)5-2/h6-8H,4-5H2,1-3H3,(H2,14,15,20)/t8-/m0/s1
InChIKeyMAFVZYNMJUCEKI-QMMMGPOBSA-N
MW278.32 g/mol
LogP0.79
Rot. Bonds5

About 1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea

1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 97454722) has the molecular formula C11H18N8O and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID97454722
Molecular FormulaC11H18N8O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCn1cc(NC(=O)N[C@@H](C)c2ncnn2CC)nn1
InChIInChI=1S/C11H18N8O/c1-4-18-6-9(16-17-18)15-11(20)14-8(3)10-12-7-13-19(10)5-2/h6-8H,4-5H2,1-3H3,(H2,14,15,20)/t8-/m0/s1
InChIKeyMAFVZYNMJUCEKI-QMMMGPOBSA-N
XLogP0.79
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea with MolForge

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Related Compounds

4-[[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 125437669
1-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methyl-1-benzofuran-5-yl)urea
CID 72873863
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97435717
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91784996
1-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea
CID 97434949
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
CID 125435125
1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 97276719
N-[4-chloro-3-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]phenyl]-2-methoxyacetamide
CID 97453184
1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97454009
1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea
CID 118788492
methyl 4-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]benzoate
CID 125175288
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
CID 91770168

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea (CID 97454722) is 1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea is CCn1cc(NC(=O)N[C@@H](C)c2ncnn2CC)nn1.
What is the InChIKey of 1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is MAFVZYNMJUCEKI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N8O/c1-4-18-6-9(16-17-18)15-11(20)14-8(3)10-12-7-13-19(10)5-2/h6-8H,4-5H2,1-3H3,(H2,14,15,20)/t8-/m0/s1.
What are the key properties of 1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea?
1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 278.32 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 97454722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).