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

C16H16Cl2N6O2 — CID 66539612

IUPAC1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
SMILESCOc1cc(CNn2nnnc2N)c(Cl)cc1OCc1ccccc1Cl
InChIInChI=1S/C16H16Cl2N6O2/c1-25-14-6-11(8-20-24-16(19)21-22-23-24)13(18)7-15(14)26-9-10-4-2-3-5-12(10)17/h2-7,20H,8-9H2,1H3,(H2,19,21,23)
InChIKeyFQSAQRATVPJITG-UHFFFAOYSA-N
MW395.25 g/mol
LogP2.89
Rot. Bonds7

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

1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine (PubChem CID 66539612) has the molecular formula C16H16Cl2N6O2 and a molecular weight of 395.25 g/mol. Its IUPAC name is 1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
PubChem CID66539612
Molecular FormulaC16H16Cl2N6O2
Molecular Weight395.25 g/mol
Exact Mass394.07
IUPAC Name1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
SMILESCOc1cc(CNn2nnnc2N)c(Cl)cc1OCc1ccccc1Cl
InChIInChI=1S/C16H16Cl2N6O2/c1-25-14-6-11(8-20-24-16(19)21-22-23-24)13(18)7-15(14)26-9-10-4-2-3-5-12(10)17/h2-7,20H,8-9H2,1H3,(H2,19,21,23)
InChIKeyFQSAQRATVPJITG-UHFFFAOYSA-N
XLogP2.89
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
CID 66539682
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine
CID 66539592
1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4725530
1-N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]tetrazole-1,5-diamine
CID 66542079
1-N-[(5-chloro-2-methoxyphenyl)methyl]tetrazole-1,5-diamine
CID 4725991
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopropanamine
CID 66529595
1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727217
4-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 66539604
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 66529636
1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine
CID 4727407
1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727280
2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol
CID 66537211

Frequently Asked Questions

What is the IUPAC name of 1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine (CID 66539612) is 1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine is COc1cc(CNn2nnnc2N)c(Cl)cc1OCc1ccccc1Cl.
What is the InChIKey of 1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine?
The InChIKey is FQSAQRATVPJITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N6O2/c1-25-14-6-11(8-20-24-16(19)21-22-23-24)13(18)7-15(14)26-9-10-4-2-3-5-12(10)17/h2-7,20H,8-9H2,1H3,(H2,19,21,23).
What are the key properties of 1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine?
1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine has a molecular weight of 395.25 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 66539612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).