1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine

C15H15ClN6O — CID 4727407

IUPAC1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C15H15ClN6O/c16-13-6-7-14(23-10-11-4-2-1-3-5-11)12(8-13)9-18-22-15(17)19-20-21-22/h1-8,18H,9-10H2,(H2,17,19,21)
InChIKeyZABRYFDFOSKUBX-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.23
Rot. Bonds6

About 1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine

1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine (PubChem CID 4727407) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is 1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine
PubChem CID4727407
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC Name1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C15H15ClN6O/c16-13-6-7-14(23-10-11-4-2-1-3-5-11)12(8-13)9-18-22-15(17)19-20-21-22/h1-8,18H,9-10H2,(H2,17,19,21)
InChIKeyZABRYFDFOSKUBX-UHFFFAOYSA-N
XLogP2.23
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine (CID 4727407) is 1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine is Nc1nnnn1NCc1cc(Cl)ccc1OCc1ccccc1.
What is the InChIKey of 1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine?
The InChIKey is ZABRYFDFOSKUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O/c16-13-6-7-14(23-10-11-4-2-1-3-5-11)12(8-13)9-18-22-15(17)19-20-21-22/h1-8,18H,9-10H2,(H2,17,19,21).
What are the key properties of 1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine?
1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine has a molecular weight of 330.78 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 4727407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).