[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine

C9H10ClN5 — CID 62736131

IUPAC[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine
SMILESNCc1nnnn1Cc1ccccc1Cl
InChIInChI=1S/C9H10ClN5/c10-8-4-2-1-3-7(8)6-15-9(5-11)12-13-14-15/h1-4H,5-6,11H2
InChIKeyZAGMFTIEHOPWAS-UHFFFAOYSA-N
MW223.67 g/mol
LogP0.83
Rot. Bonds3

About [1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine

[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine (PubChem CID 62736131) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine
PubChem CID62736131
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine
SMILESNCc1nnnn1Cc1ccccc1Cl
InChIInChI=1S/C9H10ClN5/c10-8-4-2-1-3-7(8)6-15-9(5-11)12-13-14-15/h1-4H,5-6,11H2
InChIKeyZAGMFTIEHOPWAS-UHFFFAOYSA-N
XLogP0.83
TPSA69.62 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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine?
The IUPAC name of [1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine (CID 62736131) is [1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine is NCc1nnnn1Cc1ccccc1Cl.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine?
The InChIKey is ZAGMFTIEHOPWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c10-8-4-2-1-3-7(8)6-15-9(5-11)12-13-14-15/h1-4H,5-6,11H2.
What are the key properties of [1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine?
[1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine has a molecular weight of 223.67 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]tetrazol-5-yl]methanamine is sourced from PubChem (CID 62736131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).