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

C9H9Cl2N5 — CID 107042005

IUPAC2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
SMILESCn1nnc(CNc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C9H9Cl2N5/c1-16-14-9(13-15-16)5-12-8-3-2-6(10)4-7(8)11/h2-4,12H,5H2,1H3
InChIKeyZBAMPZFYDUDZNA-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.13
Rot. Bonds3

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

2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline (PubChem CID 107042005) has the molecular formula C9H9Cl2N5 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
PubChem CID107042005
Molecular FormulaC9H9Cl2N5
Molecular Weight258.11 g/mol
Exact Mass257.02
IUPAC Name2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
SMILESCn1nnc(CNc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C9H9Cl2N5/c1-16-14-9(13-15-16)5-12-8-3-2-6(10)4-7(8)11/h2-4,12H,5H2,1H3
InChIKeyZBAMPZFYDUDZNA-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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Related Compounds

3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 69431441
2,4-dichloro-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]aniline
CID 43524673
2,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 68880752
3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107364765
2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132507
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 69215565
3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042078
2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline
CID 62760795
5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107055238
3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107462626
2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267407

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The IUPAC name of 2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline (CID 107042005) is 2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline is Cn1nnc(CNc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The InChIKey is ZBAMPZFYDUDZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N5/c1-16-14-9(13-15-16)5-12-8-3-2-6(10)4-7(8)11/h2-4,12H,5H2,1H3.
What are the key properties of 2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline 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 2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline is sourced from PubChem (CID 107042005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).