N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide

C19H18N8O2 — CID 131913187

IUPACN-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
SMILESCOc1ccc(-n2cnnc2)cc1NC(=O)c1ccc(Cn2nnnc2C)cc1
InChIInChI=1S/C19H18N8O2/c1-13-23-24-25-27(13)10-14-3-5-15(6-4-14)19(28)22-17-9-16(7-8-18(17)29-2)26-11-20-21-12-26/h3-9,11-12H,10H2,1-2H3,(H,22,28)
InChIKeyHJMQMFMWCFWJCK-UHFFFAOYSA-N
MW390.41 g/mol
LogP1.87
Rot. Bonds6

About N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide

N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide (PubChem CID 131913187) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
PubChem CID131913187
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
SMILESCOc1ccc(-n2cnnc2)cc1NC(=O)c1ccc(Cn2nnnc2C)cc1
InChIInChI=1S/C19H18N8O2/c1-13-23-24-25-27(13)10-14-3-5-15(6-4-14)19(28)22-17-9-16(7-8-18(17)29-2)26-11-20-21-12-26/h3-9,11-12H,10H2,1-2H3,(H,22,28)
InChIKeyHJMQMFMWCFWJCK-UHFFFAOYSA-N
XLogP1.87
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The IUPAC name of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide (CID 131913187) is N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide is COc1ccc(-n2cnnc2)cc1NC(=O)c1ccc(Cn2nnnc2C)cc1.
What is the InChIKey of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The InChIKey is HJMQMFMWCFWJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2/c1-13-23-24-25-27(13)10-14-3-5-15(6-4-14)19(28)22-17-9-16(7-8-18(17)29-2)26-11-20-21-12-26/h3-9,11-12H,10H2,1-2H3,(H,22,28).
What are the key properties of N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide has a molecular weight of 390.41 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 131913187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).