4-[[cyclopropyl-[(1-phenyltetrazol-5-yl)methyl]amino]methyl]benzamide

C19H20N6O — CID 46567940

IUPAC4-[[cyclopropyl-[(1-phenyltetrazol-5-yl)methyl]amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(Cc2nnnn2-c2ccccc2)C2CC2)cc1
InChIInChI=1S/C19H20N6O/c20-19(26)15-8-6-14(7-9-15)12-24(16-10-11-16)13-18-21-22-23-25(18)17-4-2-1-3-5-17/h1-9,16H,10-13H2,(H2,20,26)
InChIKeyRHWGCAXNIHPMCC-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.93
Rot. Bonds7

About 4-[[cyclopropyl-[(1-phenyltetrazol-5-yl)methyl]amino]methyl]benzamide

4-[[cyclopropyl-[(1-phenyltetrazol-5-yl)methyl]amino]methyl]benzamide (PubChem CID 46567940) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[[cyclopropyl-[(1-phenyltetrazol-5-yl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-[(1-phenyltetrazol-5-yl)methyl]amino]methyl]benzamide
PubChem CID46567940
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name4-[[cyclopropyl-[(1-phenyltetrazol-5-yl)methyl]amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(Cc2nnnn2-c2ccccc2)C2CC2)cc1
InChIInChI=1S/C19H20N6O/c20-19(26)15-8-6-14(7-9-15)12-24(16-10-11-16)13-18-21-22-23-25(18)17-4-2-1-3-5-17/h1-9,16H,10-13H2,(H2,20,26)
InChIKeyRHWGCAXNIHPMCC-UHFFFAOYSA-N
XLogP1.93
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[(1-phenyltetrazol-5-yl)methyl]amino]methyl]benzamide?
The IUPAC name of 4-[[cyclopropyl-[(1-phenyltetrazol-5-yl)methyl]amino]methyl]benzamide (CID 46567940) is 4-[[cyclopropyl-[(1-phenyltetrazol-5-yl)methyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[cyclopropyl-[(1-phenyltetrazol-5-yl)methyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[cyclopropyl-[(1-phenyltetrazol-5-yl)methyl]amino]methyl]benzamide is NC(=O)c1ccc(CN(Cc2nnnn2-c2ccccc2)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl-[(1-phenyltetrazol-5-yl)methyl]amino]methyl]benzamide?
The InChIKey is RHWGCAXNIHPMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c20-19(26)15-8-6-14(7-9-15)12-24(16-10-11-16)13-18-21-22-23-25(18)17-4-2-1-3-5-17/h1-9,16H,10-13H2,(H2,20,26).
What are the key properties of 4-[[cyclopropyl-[(1-phenyltetrazol-5-yl)methyl]amino]methyl]benzamide?
4-[[cyclopropyl-[(1-phenyltetrazol-5-yl)methyl]amino]methyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[(1-phenyltetrazol-5-yl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 46567940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).