3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline

C9H9Cl2N5 — CID 69431441

IUPAC3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
SMILESCn1nnc(CNc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C9H9Cl2N5/c1-16-14-9(13-15-16)5-12-6-2-3-7(10)8(11)4-6/h2-4,12H,5H2,1H3
InChIKeyYTGNOYFVYTUIJU-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.13
Rot. Bonds3

About 3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline

3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline (PubChem CID 69431441) has the molecular formula C9H9Cl2N5 and a molecular weight of 258.11 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
PubChem CID69431441
Molecular FormulaC9H9Cl2N5
Molecular Weight258.11 g/mol
Exact Mass257.02
IUPAC Name3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
SMILESCn1nnc(CNc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C9H9Cl2N5/c1-16-14-9(13-15-16)5-12-6-2-3-7(10)8(11)4-6/h2-4,12H,5H2,1H3
InChIKeyYTGNOYFVYTUIJU-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

4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 69215565
3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107364765
3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042078
3-butan-2-yloxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042351
3,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134981
2,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 68880752
4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061870
1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107042771
2-[(3,4-dichloroanilino)methyl]phenol
CID 5078127
3-[[2-fluoro-4-[(2-methyltetrazol-5-yl)methylamino]phenoxy]methyl]benzonitrile
CID 167821304
2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042537
3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527468

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The IUPAC name of 3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline (CID 69431441) is 3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline is Cn1nnc(CNc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The InChIKey is YTGNOYFVYTUIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N5/c1-16-14-9(13-15-16)5-12-6-2-3-7(10)8(11)4-6/h2-4,12H,5H2,1H3.
What are the key properties of 3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
3,4-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 3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline is sourced from PubChem (CID 69431441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).