N-[(3,4-dichlorophenyl)methyl]-1-methyltetrazol-5-amine

C9H9Cl2N5 — CID 834558

IUPACN-[(3,4-dichlorophenyl)methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2N5/c1-16-9(13-14-15-16)12-5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13,15)
InChIKeyUVKJMQAUUQWNPC-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.13
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-1-methyltetrazol-5-amine

N-[(3,4-dichlorophenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 834558) has the molecular formula C9H9Cl2N5 and a molecular weight of 258.11 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID834558
Molecular FormulaC9H9Cl2N5
Molecular Weight258.11 g/mol
Exact Mass257.02
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2N5/c1-16-9(13-14-15-16)12-5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13,15)
InChIKeyUVKJMQAUUQWNPC-UHFFFAOYSA-N
XLogP2.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-methyltetrazol-5-amine (CID 834558) is N-[(3,4-dichlorophenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-methyltetrazol-5-amine is Cn1nnnc1NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is UVKJMQAUUQWNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N5/c1-16-9(13-14-15-16)12-5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13,15).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-methyltetrazol-5-amine?
N-[(3,4-dichlorophenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 258.11 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 834558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).