1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine

C15H14ClFN6O — CID 4727411

IUPAC1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1cc(Cl)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C15H14ClFN6O/c16-12-3-6-14(24-9-10-1-4-13(17)5-2-10)11(7-12)8-19-23-15(18)20-21-22-23/h1-7,19H,8-9H2,(H2,18,20,22)
InChIKeyYKRYMCRHDMQGDV-UHFFFAOYSA-N
MW348.77 g/mol
LogP2.37
Rot. Bonds6

About 1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine

1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine (PubChem CID 4727411) has the molecular formula C15H14ClFN6O and a molecular weight of 348.77 g/mol. Its IUPAC name is 1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
PubChem CID4727411
Molecular FormulaC15H14ClFN6O
Molecular Weight348.77 g/mol
Exact Mass348.09
IUPAC Name1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1cc(Cl)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C15H14ClFN6O/c16-12-3-6-14(24-9-10-1-4-13(17)5-2-10)11(7-12)8-19-23-15(18)20-21-22-23/h1-7,19H,8-9H2,(H2,18,20,22)
InChIKeyYKRYMCRHDMQGDV-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-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine
CID 4727407
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-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
CID 66539682
1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727217
1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine
CID 4727212
2-[2-[[(5-aminotetrazol-1-yl)amino]methyl]-4-chlorophenoxy]-N-tert-butylacetamide
CID 17057947
1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine
CID 66544199
4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione
CID 4726248
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821
4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-3-propyl-1H-1,2,4-triazole-5-thione
CID 4725928
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720979

Frequently Asked Questions

What is the IUPAC name of 1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine (CID 4727411) is 1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine is Nc1nnnn1NCc1cc(Cl)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The InChIKey is YKRYMCRHDMQGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN6O/c16-12-3-6-14(24-9-10-1-4-13(17)5-2-10)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-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
1-N-[[5-chloro-2-[(4-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-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 4727411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).