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

C17H22N6O — CID 125174038

IUPAC1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESCCn1c(C)cc2cc(NC(=O)N[C@H](C)Cn3cncn3)ccc21
InChIInChI=1S/C17H22N6O/c1-4-23-13(3)7-14-8-15(5-6-16(14)23)21-17(24)20-12(2)9-22-11-18-10-19-22/h5-8,10-12H,4,9H2,1-3H3,(H2,20,21,24)/t12-/m1/s1
InChIKeyCWMWLYKKPJRBKV-GFCCVEGCSA-N
MW326.40 g/mol
LogP2.77
Rot. Bonds5

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

1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea (PubChem CID 125174038) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
PubChem CID125174038
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESCCn1c(C)cc2cc(NC(=O)N[C@H](C)Cn3cncn3)ccc21
InChIInChI=1S/C17H22N6O/c1-4-23-13(3)7-14-8-15(5-6-16(14)23)21-17(24)20-12(2)9-22-11-18-10-19-22/h5-8,10-12H,4,9H2,1-3H3,(H2,20,21,24)/t12-/m1/s1
InChIKeyCWMWLYKKPJRBKV-GFCCVEGCSA-N
XLogP2.77
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
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1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97455447
1-[3-(3-methylpyrazol-1-yl)phenyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97212819
2-amino-N-(1-ethyl-2-methylindol-5-yl)propanamide
CID 131907510
N,N-diethyl-3-methyl-4-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzamide
CID 125176908
1-(5-acetyl-2-ethoxyphenyl)-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 125167955
1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 72868222
1-(1-hydroxybutan-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 110911522
1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea
CID 126436507
cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate
CID 124507477
N-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 131945031
1-(4-butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The IUPAC name of 1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea (CID 125174038) is 1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The canonical SMILES for 1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea is CCn1c(C)cc2cc(NC(=O)N[C@H](C)Cn3cncn3)ccc21.
What is the InChIKey of 1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The InChIKey is CWMWLYKKPJRBKV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N6O/c1-4-23-13(3)7-14-8-15(5-6-16(14)23)21-17(24)20-12(2)9-22-11-18-10-19-22/h5-8,10-12H,4,9H2,1-3H3,(H2,20,21,24)/t12-/m1/s1.
What are the key properties of 1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea has a molecular weight of 326.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea is sourced from PubChem (CID 125174038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).