6-chloro-5-methyl-1,2,4-triazin-3-amine;1-ethylpiperidine

C11H20ClN5 — CID 166152933

IUPAC6-chloro-5-methyl-1,2,4-triazin-3-amine;1-ethylpiperidine
SMILESCCN1CCCCC1.Cc1nc(N)nnc1Cl
InChIInChI=1S/C7H15N.C4H5ClN4/c1-2-8-6-4-3-5-7-8;1-2-3(5)8-9-4(6)7-2/h2-7H2,1H3;1H3,(H2,6,7,9)
InChIKeyJIHAKDFCEQRZOY-UHFFFAOYSA-N
MW257.77 g/mol
LogP1.91
Rot. Bonds1

About 6-chloro-5-methyl-1,2,4-triazin-3-amine;1-ethylpiperidine

6-chloro-5-methyl-1,2,4-triazin-3-amine;1-ethylpiperidine (PubChem CID 166152933) has the molecular formula C11H20ClN5 and a molecular weight of 257.77 g/mol. Its IUPAC name is 6-chloro-5-methyl-1,2,4-triazin-3-amine;1-ethylpiperidine.

Molecular Properties

Compound Name6-chloro-5-methyl-1,2,4-triazin-3-amine;1-ethylpiperidine
PubChem CID166152933
Molecular FormulaC11H20ClN5
Molecular Weight257.77 g/mol
Exact Mass257.14
IUPAC Name6-chloro-5-methyl-1,2,4-triazin-3-amine;1-ethylpiperidine
SMILESCCN1CCCCC1.Cc1nc(N)nnc1Cl
InChIInChI=1S/C7H15N.C4H5ClN4/c1-2-8-6-4-3-5-7-8;1-2-3(5)8-9-4(6)7-2/h2-7H2,1H3;1H3,(H2,6,7,9)
InChIKeyJIHAKDFCEQRZOY-UHFFFAOYSA-N
XLogP1.91
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 166152957
6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine
CID 166152988
6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine
CID 171553455
6-chloro-N-[(3R,5R)-5-fluoro-1-methylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 176918006
6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine
CID 176918010
6-chloro-N-[(3R,5R)-1-cyclobutyl-5-fluoropiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 176918020
6-chloro-N-[(3R,5R)-5-fluoro-1-(2-methoxyethyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 176918035
6-chloro-N-[(3R)-1-(3,3-difluorocyclobutyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 176918045
6-chloro-N-[(3R)-1-(3-fluoropropyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 176918051
6-chloro-N-[(3R,5R)-5-fluoro-1-propylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 176918056
6-chloro-N-[(3R,5R)-5-fluoro-1-propan-2-ylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 176918080
6-chloro-N-[(3R,5R)-1-ethyl-5-fluoropiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 178816044

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-1,2,4-triazin-3-amine;1-ethylpiperidine?
The IUPAC name of 6-chloro-5-methyl-1,2,4-triazin-3-amine;1-ethylpiperidine (CID 166152933) is 6-chloro-5-methyl-1,2,4-triazin-3-amine;1-ethylpiperidine.
What is the SMILES notation for 6-chloro-5-methyl-1,2,4-triazin-3-amine;1-ethylpiperidine?
The canonical SMILES for 6-chloro-5-methyl-1,2,4-triazin-3-amine;1-ethylpiperidine is CCN1CCCCC1.Cc1nc(N)nnc1Cl.
What is the InChIKey of 6-chloro-5-methyl-1,2,4-triazin-3-amine;1-ethylpiperidine?
The InChIKey is JIHAKDFCEQRZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C4H5ClN4/c1-2-8-6-4-3-5-7-8;1-2-3(5)8-9-4(6)7-2/h2-7H2,1H3;1H3,(H2,6,7,9).
What are the key properties of 6-chloro-5-methyl-1,2,4-triazin-3-amine;1-ethylpiperidine?
6-chloro-5-methyl-1,2,4-triazin-3-amine;1-ethylpiperidine has a molecular weight of 257.77 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-1,2,4-triazin-3-amine;1-ethylpiperidine is sourced from PubChem (CID 166152933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).