N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine

C10H11Cl2N5O — CID 4725592

IUPACN-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCOc1c(Cl)cc(Cl)cc1CNc1nnnn1C
InChIInChI=1S/C10H11Cl2N5O/c1-17-10(14-15-16-17)13-5-6-3-7(11)4-8(12)9(6)18-2/h3-4H,5H2,1-2H3,(H,13,14,16)
InChIKeySBUGQWGJHXUDJO-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.14
Rot. Bonds4

About N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine

N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 4725592) has the molecular formula C10H11Cl2N5O and a molecular weight of 288.14 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID4725592
Molecular FormulaC10H11Cl2N5O
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCOc1c(Cl)cc(Cl)cc1CNc1nnnn1C
InChIInChI=1S/C10H11Cl2N5O/c1-17-10(14-15-16-17)13-5-6-3-7(11)4-8(12)9(6)18-2/h3-4H,5H2,1-2H3,(H,13,14,16)
InChIKeySBUGQWGJHXUDJO-UHFFFAOYSA-N
XLogP2.14
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine (CID 4725592) is N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine is COc1c(Cl)cc(Cl)cc1CNc1nnnn1C.
What is the InChIKey of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is SBUGQWGJHXUDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N5O/c1-17-10(14-15-16-17)13-5-6-3-7(11)4-8(12)9(6)18-2/h3-4H,5H2,1-2H3,(H,13,14,16).
What are the key properties of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine?
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 288.14 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 4725592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).