3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea

C14H17N5O2 — CID 154772959

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea
SMILESCN(Cc1n[nH]c(=O)[nH]1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H17N5O2/c1-19(8-12-16-13(20)18-17-12)14(21)15-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3,(H,15,21)(H2,16,17,18,20)
InChIKeyNNOJIIGBXLVUMK-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.25
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea

3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 154772959) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea
PubChem CID154772959
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea
SMILESCN(Cc1n[nH]c(=O)[nH]1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H17N5O2/c1-19(8-12-16-13(20)18-17-12)14(21)15-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3,(H,15,21)(H2,16,17,18,20)
InChIKeyNNOJIIGBXLVUMK-UHFFFAOYSA-N
XLogP1.25
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea
CID 86987424
3-(5-chloro-2-methylphenyl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea
CID 138047458
1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea
CID 111859076
2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid
CID 62638284
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512409
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 9298717
2-[cyclopropyl(2,3-dihydro-1H-inden-5-ylcarbamoyl)amino]acetic acid
CID 61185132
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N,2,2-trimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
CID 154847590
2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 115166897
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea (CID 154772959) is 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea is CN(Cc1n[nH]c(=O)[nH]1)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is NNOJIIGBXLVUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-19(8-12-16-13(20)18-17-12)14(21)15-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3,(H,15,21)(H2,16,17,18,20).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea?
3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 287.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 154772959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).