1-N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine

C15H14ClFN6O — CID 4727412

IUPAC1-N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1cc(Cl)ccc1OCc1ccccc1F
InChIInChI=1S/C15H14ClFN6O/c16-12-5-6-14(24-9-10-3-1-2-4-13(10)17)11(7-12)8-19-23-15(18)20-21-22-23/h1-7,19H,8-9H2,(H2,18,20,22)
InChIKeyNHVWTOBYIKONRP-UHFFFAOYSA-N
MW348.77 g/mol
LogP2.37
Rot. Bonds6

About 1-N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine

1-N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine (PubChem CID 4727412) has the molecular formula C15H14ClFN6O and a molecular weight of 348.77 g/mol. Its IUPAC name is 1-N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
PubChem CID4727412
Molecular FormulaC15H14ClFN6O
Molecular Weight348.77 g/mol
Exact Mass348.09
IUPAC Name1-N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1cc(Cl)ccc1OCc1ccccc1F
InChIInChI=1S/C15H14ClFN6O/c16-12-5-6-14(24-9-10-3-1-2-4-13(10)17)11(7-12)8-19-23-15(18)20-21-22-23/h1-7,19H,8-9H2,(H2,18,20,22)
InChIKeyNHVWTOBYIKONRP-UHFFFAOYSA-N
XLogP2.37
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.77
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine
CID 833834
5-[3-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]phenyl]-2H-tetrazole
CID 155153775
N~1~-[2-(allyloxy)benzyl]-1H-tetrazole-1,5-diamine
CID 2214282
N-(5-chloro-2-ethoxybenzyl)-1H-tetrazol-5-amine
CID 4725453
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4727681
N-(5-chloro-2-methoxybenzyl)-1H-tetrazol-5-amine
CID 6457276
N-{5-chloro-2-[(4-methylbenzyl)oxy]benzyl}-2H-tetrazol-5-amine
CID 17057711
N~1~-{2-[(4-fluorobenzyl)oxy]benzyl}-1H-tetrazole-1,5-diamine
CID 712646
N~1~-{5-bromo-2-[(2-chlorobenzyl)oxy]benzyl}-1H-tetrazole-1,5-diamine
CID 4727273
N-{5-chloro-2-[(2-fluorobenzyl)oxy]benzyl}-4H-1,2,4-triazol-4-amine
CID 4727403
N~1~-{5-chloro-2-[(2-chloro-4-fluorobenzyl)oxy]benzyl}-1H-tetrazole-1,5-diamine
CID 44615845
1-butyl-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazol-5-amine
CID 4725730

Frequently Asked Questions

What is the IUPAC name of 1-N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine (CID 4727412) is 1-N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine is Nc1nnnn1NCc1cc(Cl)ccc1OCc1ccccc1F.
What is the InChIKey of 1-N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The InChIKey is NHVWTOBYIKONRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN6O/c16-12-5-6-14(24-9-10-3-1-2-4-13(10)17)11(7-12)8-19-23-15(18)20-21-22-23/h1-7,19H,8-9H2,(H2,18,20,22).
What are the key properties of 1-N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
1-N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine has a molecular weight of 348.77 g/mol, XLogP of 2.37, 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-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 4727412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).