6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine

C12H9Cl2N5 — CID 102760218

IUPAC6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine
SMILESCNc1nc(-n2nnc3ccccc32)c(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2N5/c1-15-11-7(13)6-8(14)12(16-11)19-10-5-3-2-4-9(10)17-18-19/h2-6H,1H3,(H,15,16)
InChIKeyGHXRXMIPLVDRLA-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.16
Rot. Bonds2

About 6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine

6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine (PubChem CID 102760218) has the molecular formula C12H9Cl2N5 and a molecular weight of 294.15 g/mol. Its IUPAC name is 6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine
PubChem CID102760218
Molecular FormulaC12H9Cl2N5
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine
SMILESCNc1nc(-n2nnc3ccccc32)c(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2N5/c1-15-11-7(13)6-8(14)12(16-11)19-10-5-3-2-4-9(10)17-18-19/h2-6H,1H3,(H,15,16)
InChIKeyGHXRXMIPLVDRLA-UHFFFAOYSA-N
XLogP3.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)benzotriazole
CID 4825894
6-(benzotriazol-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80991653
4-(benzotriazol-1-yl)-5-bromo-N-methylpyrimidin-2-amine
CID 80853309
2-(benzotriazol-1-yl)-6-chloropyridin-3-amine
CID 113317011
1-(3,5,6-trifluoro-2-pyridinyl)benzotriazole
CID 114072752
6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102760242
6-(azepan-1-yl)-3,5-dichloro-N-methylpyridin-2-amine
CID 102755321
4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62863325
6-(benzotriazol-1-yl)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19148004
6-(benzotriazol-1-yl)-4-N-(5-chloro-2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19153404
1-(6-chloropyridazin-3-yl)benzotriazole
CID 43213118
1-(6-chloropyrazin-2-yl)benzotriazole
CID 43260425

Frequently Asked Questions

What is the IUPAC name of 6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine?
The IUPAC name of 6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine (CID 102760218) is 6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine.
What is the SMILES notation for 6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine?
The canonical SMILES for 6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine is CNc1nc(-n2nnc3ccccc32)c(Cl)cc1Cl.
What is the InChIKey of 6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine?
The InChIKey is GHXRXMIPLVDRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N5/c1-15-11-7(13)6-8(14)12(16-11)19-10-5-3-2-4-9(10)17-18-19/h2-6H,1H3,(H,15,16).
What are the key properties of 6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine?
6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine has a molecular weight of 294.15 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine is sourced from PubChem (CID 102760218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).