4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide

C15H20N6O — CID 57246495

IUPAC4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccc(CNC2CCCCC2)cc1
InChIInChI=1S/C15H20N6O/c22-14(17-15-18-20-21-19-15)12-8-6-11(7-9-12)10-16-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10H2,(H2,17,18,19,20,21,22)
InChIKeyVBDAKGSRYFEQSF-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.87
Rot. Bonds5

About 4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide

4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 57246495) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID57246495
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccc(CNC2CCCCC2)cc1
InChIInChI=1S/C15H20N6O/c22-14(17-15-18-20-21-19-15)12-8-6-11(7-9-12)10-16-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10H2,(H2,17,18,19,20,21,22)
InChIKeyVBDAKGSRYFEQSF-UHFFFAOYSA-N
XLogP1.87
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide (CID 57246495) is 4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide is O=C(Nc1nn[nH]n1)c1ccc(CNC2CCCCC2)cc1.
What is the InChIKey of 4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is VBDAKGSRYFEQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c22-14(17-15-18-20-21-19-15)12-8-6-11(7-9-12)10-16-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10H2,(H2,17,18,19,20,21,22).
What are the key properties of 4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide?
4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 300.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 57246495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).