1-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine

C16H16ClFN6O2 — CID 4727329

IUPAC1-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
SMILESCOc1cc(CNn2nnnc2N)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C16H16ClFN6O2/c1-25-14-7-10(8-20-24-16(19)21-22-23-24)6-12(17)15(14)26-9-11-4-2-3-5-13(11)18/h2-7,20H,8-9H2,1H3,(H2,19,21,23)
InChIKeyBVGHLYCXNLDJOB-UHFFFAOYSA-N
MW378.80 g/mol
LogP2.38
Rot. Bonds7

About 1-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine

1-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine (PubChem CID 4727329) has the molecular formula C16H16ClFN6O2 and a molecular weight of 378.80 g/mol. Its IUPAC name is 1-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
PubChem CID4727329
Molecular FormulaC16H16ClFN6O2
Molecular Weight378.80 g/mol
Exact Mass378.10
IUPAC Name1-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
SMILESCOc1cc(CNn2nnnc2N)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C16H16ClFN6O2/c1-25-14-7-10(8-20-24-16(19)21-22-23-24)6-12(17)15(14)26-9-11-4-2-3-5-13(11)18/h2-7,20H,8-9H2,1H3,(H2,19,21,23)
InChIKeyBVGHLYCXNLDJOB-UHFFFAOYSA-N
XLogP2.38
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.80
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine with MolForge

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Related Compounds

N-{3-chloro-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzyl}-1H-tetrazol-5-amine
CID 4727668
4-((3-Chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzyl)amino)-4H-1,2,4-triazole-3-thiol
CID 1017025
4-({3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxybenzyl}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
CID 1017089
2-[4-[[(5-aminotetrazol-1-yl)amino]methyl]-2-chloro-6-ethoxyphenoxy]-N-tert-butylacetamide
CID 1017319
N~1~-{4-[(2,6-dichlorobenzyl)oxy]-3-methoxybenzyl}-1H-tetrazole-1,5-diamine
CID 1287557
4-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-1,2,4-triazole-5-thione
CID 1314765
4-(4-Benzyloxy-3-chloro-5-methoxy-benzylamino)-4H-[1,2,4]triazole-3-thiol
CID 1017024
4-{[4-(benzyloxy)-3-chloro-5-methoxybenzyl]amino}-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
CID 1017088
N-{3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]benzyl}-2H-tetrazol-5-amine
CID 17057707
N-[4-(benzyloxy)-3-chloro-5-methoxybenzyl]-4H-1,2,4-triazol-4-amine
CID 4727316
N-{4-[(2-chloro-6-fluorobenzyl)oxy]-3-methoxybenzyl}-1H-tetrazol-5-amine
CID 4725562
N-{4-[(3-chlorobenzyl)oxy]-3-methoxybenzyl}-1H-tetrazol-5-amine
CID 4725564

Frequently Asked Questions

What is the IUPAC name of 1-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine (CID 4727329) is 1-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine is COc1cc(CNn2nnnc2N)cc(Cl)c1OCc1ccccc1F.
What is the InChIKey of 1-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine?
The InChIKey is BVGHLYCXNLDJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN6O2/c1-25-14-7-10(8-20-24-16(19)21-22-23-24)6-12(17)15(14)26-9-11-4-2-3-5-13(11)18/h2-7,20H,8-9H2,1H3,(H2,19,21,23).
What are the key properties of 1-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine?
1-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine has a molecular weight of 378.80 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 4727329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).