1-cyclohexyl-3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea

C17H24N6O — CID 18565879

IUPAC1-cyclohexyl-3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea
SMILESCc1ccc(-n2nnnc2CNC(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C17H24N6O/c1-12-8-9-15(10-13(12)2)23-16(20-21-22-23)11-18-17(24)19-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H2,18,19,24)
InChIKeyVLPSWYDCJGUBST-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.41
Rot. Bonds4

About 1-cyclohexyl-3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea

1-cyclohexyl-3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea (PubChem CID 18565879) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea
PubChem CID18565879
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-cyclohexyl-3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea
SMILESCc1ccc(-n2nnnc2CNC(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C17H24N6O/c1-12-8-9-15(10-13(12)2)23-16(20-21-22-23)11-18-17(24)19-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H2,18,19,24)
InChIKeyVLPSWYDCJGUBST-UHFFFAOYSA-N
XLogP2.41
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea (CID 18565879) is 1-cyclohexyl-3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea is Cc1ccc(-n2nnnc2CNC(=O)NC2CCCCC2)cc1C.
What is the InChIKey of 1-cyclohexyl-3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea?
The InChIKey is VLPSWYDCJGUBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12-8-9-15(10-13(12)2)23-16(20-21-22-23)11-18-17(24)19-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H2,18,19,24).
What are the key properties of 1-cyclohexyl-3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea?
1-cyclohexyl-3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]urea is sourced from PubChem (CID 18565879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).