3,5-dichloro-N-ethyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine

C9H9Cl2N5 — CID 102760227

IUPAC3,5-dichloro-N-ethyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine
SMILESCCNc1nc(-n2cncn2)c(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N5/c1-2-13-8-6(10)3-7(11)9(15-8)16-5-12-4-14-16/h3-5H,2H2,1H3,(H,13,15)
InChIKeyGRGRNWINJIDPNX-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.40
Rot. Bonds3

About 3,5-dichloro-N-ethyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine

3,5-dichloro-N-ethyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine (PubChem CID 102760227) has the molecular formula C9H9Cl2N5 and a molecular weight of 258.11 g/mol. Its IUPAC name is 3,5-dichloro-N-ethyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-ethyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine
PubChem CID102760227
Molecular FormulaC9H9Cl2N5
Molecular Weight258.11 g/mol
Exact Mass257.02
IUPAC Name3,5-dichloro-N-ethyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine
SMILESCCNc1nc(-n2cncn2)c(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N5/c1-2-13-8-6(10)3-7(11)9(15-8)16-5-12-4-14-16/h3-5H,2H2,1H3,(H,13,15)
InChIKeyGRGRNWINJIDPNX-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-ethyl-6-(4-iodopyrazol-1-yl)pyridin-2-amine
CID 102760304
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5-dichloro-N-ethyl-6-morpholin-4-ylpyridin-2-amine
CID 102755300
6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102760242
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102759337
4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one
CID 102755342
3,5-dichloro-6-(3-methylpyrazol-1-yl)-N-propylpyridin-2-amine
CID 102760287
5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline
CID 43228690
3,5-dichloro-N-ethyl-6-(4-methoxypiperidin-1-yl)pyridin-2-amine
CID 102755942
6-butyl-3,5-dichloro-N-ethylpyridin-2-amine
CID 106659441
3,5-dichloro-6-(4-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine
CID 102756468

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-ethyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine (CID 102760227) is 3,5-dichloro-N-ethyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-ethyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-ethyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine is CCNc1nc(-n2cncn2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-ethyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine?
The InChIKey is GRGRNWINJIDPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N5/c1-2-13-8-6(10)3-7(11)9(15-8)16-5-12-4-14-16/h3-5H,2H2,1H3,(H,13,15).
What are the key properties of 3,5-dichloro-N-ethyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine?
3,5-dichloro-N-ethyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine has a molecular weight of 258.11 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethyl-6-(1,2,4-triazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 102760227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).