N-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine

C9H10ClN5 — CID 580629

IUPACN-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN5/c1-15-9(12-13-14-15)11-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3,(H,11,12,14)
InChIKeyOFJPINSLOMBRMH-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.48
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine

N-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 580629) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID580629
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC NameN-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN5/c1-15-9(12-13-14-15)11-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3,(H,11,12,14)
InChIKeyOFJPINSLOMBRMH-UHFFFAOYSA-N
XLogP1.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine (CID 580629) is N-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine is Cn1nnnc1NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is OFJPINSLOMBRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-15-9(12-13-14-15)11-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3,(H,11,12,14).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine?
N-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 223.67 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 580629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).