4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline

C9H10ClN5 — CID 11299037

IUPAC4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
SMILESCn1nnc(CNc2ccc(Cl)cc2)n1
InChIInChI=1S/C9H10ClN5/c1-15-13-9(12-14-15)6-11-8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
InChIKeyMTKWOUZCLHJPDW-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.48
Rot. Bonds3

About 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline

4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline (PubChem CID 11299037) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
PubChem CID11299037
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
SMILESCn1nnc(CNc2ccc(Cl)cc2)n1
InChIInChI=1S/C9H10ClN5/c1-15-13-9(12-14-15)6-11-8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
InChIKeyMTKWOUZCLHJPDW-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 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The IUPAC name of 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline (CID 11299037) is 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The canonical SMILES for 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline is Cn1nnc(CNc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The InChIKey is MTKWOUZCLHJPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-15-13-9(12-14-15)6-11-8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3.
What are the key properties of 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline 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 4-chloro-N-[(2-methyltetrazol-5-yl)methyl]aniline is sourced from PubChem (CID 11299037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).