3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine

C9H13Cl2N5 — CID 81036781

IUPAC3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine
SMILESCC1CN(c2nc(Cl)nnc2Cl)CCN1C
InChIInChI=1S/C9H13Cl2N5/c1-6-5-16(4-3-15(6)2)8-7(10)13-14-9(11)12-8/h6H,3-5H2,1-2H3
InChIKeyFUSPXUWXJCPLFC-UHFFFAOYSA-N
MW262.14 g/mol
LogP1.32
Rot. Bonds1

About 3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine

3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine (PubChem CID 81036781) has the molecular formula C9H13Cl2N5 and a molecular weight of 262.14 g/mol. Its IUPAC name is 3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine
PubChem CID81036781
Molecular FormulaC9H13Cl2N5
Molecular Weight262.14 g/mol
Exact Mass261.05
IUPAC Name3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine
SMILESCC1CN(c2nc(Cl)nnc2Cl)CCN1C
InChIInChI=1S/C9H13Cl2N5/c1-6-5-16(4-3-15(6)2)8-7(10)13-14-9(11)12-8/h6H,3-5H2,1-2H3
InChIKeyFUSPXUWXJCPLFC-UHFFFAOYSA-N
XLogP1.32
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,6-dichloro-1,2,4-triazin-5-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200530
1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol
CID 102963145
[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-3-yl]methanol
CID 81037157
1-chloro-4-(3,4-dimethylpiperazin-1-yl)pyrido[3,4-d]pyridazine
CID 143777487
4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80732766
3-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridazine
CID 63604413
3,6-dichloro-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-triazine
CID 103500970
4-(3-chloro-2-pyridinyl)-1,2-dimethylpiperazine
CID 71195511
4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine
CID 177274249
4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole
CID 83155623
[4-(3,6-dichloro-1,2,4-triazin-5-yl)-6-methylmorpholin-2-yl]methanol
CID 102933968
4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine
CID 80735813

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine (CID 81036781) is 3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine is CC1CN(c2nc(Cl)nnc2Cl)CCN1C.
What is the InChIKey of 3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine?
The InChIKey is FUSPXUWXJCPLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N5/c1-6-5-16(4-3-15(6)2)8-7(10)13-14-9(11)12-8/h6H,3-5H2,1-2H3.
What are the key properties of 3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine?
3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine has a molecular weight of 262.14 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 81036781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).