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

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Related Compounds

1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727411
1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine
CID 4725991
1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727280
1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine
CID 4727212
1-N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
CID 66539682
2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide
CID 17057947
1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727217
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
CID 66539612
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4725530
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
CID 17289738

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).