3-chloro-5-(1-methylpiperidin-4-yl)oxy-1,2,4-triazine

C9H13ClN4O — CID 115000770

IUPAC3-chloro-5-(1-methylpiperidin-4-yl)oxy-1,2,4-triazine
SMILESCN1CCC(Oc2cnnc(Cl)n2)CC1
InChIInChI=1S/C9H13ClN4O/c1-14-4-2-7(3-5-14)15-8-6-11-13-9(10)12-8/h6-7H,2-5H2,1H3
InChIKeyQEEHFDQHAQMCFK-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.00
Rot. Bonds2

About 3-chloro-5-(1-methylpiperidin-4-yl)oxy-1,2,4-triazine

3-chloro-5-(1-methylpiperidin-4-yl)oxy-1,2,4-triazine (PubChem CID 115000770) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-chloro-5-(1-methylpiperidin-4-yl)oxy-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-5-(1-methylpiperidin-4-yl)oxy-1,2,4-triazine
PubChem CID115000770
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name3-chloro-5-(1-methylpiperidin-4-yl)oxy-1,2,4-triazine
SMILESCN1CCC(Oc2cnnc(Cl)n2)CC1
InChIInChI=1S/C9H13ClN4O/c1-14-4-2-7(3-5-14)15-8-6-11-13-9(10)12-8/h6-7H,2-5H2,1H3
InChIKeyQEEHFDQHAQMCFK-UHFFFAOYSA-N
XLogP1.00
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidine
CID 121284010
4-chloro-N,N-dimethyl-6-(1-methylpiperidin-4-yl)oxy-1,3,5-triazin-2-amine
CID 62870341
4-(1-methylpiperidin-4-yl)oxypyrimidine
CID 123827730
6-(1-methylpiperidin-4-yl)oxypyrimidine-2,4-diamine
CID 80873922
CID 123670309
CID 123670309
7-bromo-2-(1-methylpiperidin-4-yl)oxyquinoxaline
CID 67476097
2-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine
CID 80872793
5-chloro-4-(1-methylpiperidin-4-yl)oxypyridin-3-amine
CID 90209549
N-methyl-6-(1-methylpiperidin-4-yl)oxypyridin-2-amine
CID 45097725
2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine
CID 89388695
5-bromo-N-methyl-4-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine
CID 80872210
3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one
CID 70846019

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1-methylpiperidin-4-yl)oxy-1,2,4-triazine?
The IUPAC name of 3-chloro-5-(1-methylpiperidin-4-yl)oxy-1,2,4-triazine (CID 115000770) is 3-chloro-5-(1-methylpiperidin-4-yl)oxy-1,2,4-triazine.
What is the SMILES notation for 3-chloro-5-(1-methylpiperidin-4-yl)oxy-1,2,4-triazine?
The canonical SMILES for 3-chloro-5-(1-methylpiperidin-4-yl)oxy-1,2,4-triazine is CN1CCC(Oc2cnnc(Cl)n2)CC1.
What is the InChIKey of 3-chloro-5-(1-methylpiperidin-4-yl)oxy-1,2,4-triazine?
The InChIKey is QEEHFDQHAQMCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-14-4-2-7(3-5-14)15-8-6-11-13-9(10)12-8/h6-7H,2-5H2,1H3.
What are the key properties of 3-chloro-5-(1-methylpiperidin-4-yl)oxy-1,2,4-triazine?
3-chloro-5-(1-methylpiperidin-4-yl)oxy-1,2,4-triazine has a molecular weight of 228.68 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-methylpiperidin-4-yl)oxy-1,2,4-triazine is sourced from PubChem (CID 115000770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).