2-chloro-4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine

C10H12ClN7 — CID 62868508

IUPAC2-chloro-4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESClc1nc(N2CCCCC2)nc(-n2cncn2)n1
InChIInChI=1S/C10H12ClN7/c11-8-14-9(17-4-2-1-3-5-17)16-10(15-8)18-7-12-6-13-18/h6-7H,1-5H2
InChIKeyINGZOXLNUWBBDW-UHFFFAOYSA-N
MW265.71 g/mol
LogP1.10
Rot. Bonds2

About 2-chloro-4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine

2-chloro-4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (PubChem CID 62868508) has the molecular formula C10H12ClN7 and a molecular weight of 265.71 g/mol. Its IUPAC name is 2-chloro-4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
PubChem CID62868508
Molecular FormulaC10H12ClN7
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name2-chloro-4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESClc1nc(N2CCCCC2)nc(-n2cncn2)n1
InChIInChI=1S/C10H12ClN7/c11-8-14-9(17-4-2-1-3-5-17)16-10(15-8)18-7-12-6-13-18/h6-7H,1-5H2
InChIKeyINGZOXLNUWBBDW-UHFFFAOYSA-N
XLogP1.10
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-Piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 127043770
1-(1,2,4-Triazol-1-ylmethyl)piperidine
CID 4418202
1-(1-Methyl-1,2,4-triazol-3-yl)piperidine
CID 21854915
1-(4-Methyl-1,2,4-triazol-3-yl)piperidine
CID 21854916
1-(1,2,4-Triazol-1-ylmethyl)piperidine;hydrochloride
CID 22128928
1-(4-Methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)piperidine;hydrochloride
CID 140128319
Ethane;1-ethyl-1,2,4-triazole;1-methylpiperidine
CID 143114530
1-[4-(Trideuteriomethyl)-1,2,4-triazol-3-yl]piperidine
CID 176040994
1-(2-Methyl-1,2,4-triazol-3-yl)piperidine
CID 14221649
1-(1,2,4-Triazol-4-ylmethyl)piperidine
CID 21282369
2-Chloro-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 55124294
2-Chloro-4-(2-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 55124339

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (CID 62868508) is 2-chloro-4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is Clc1nc(N2CCCCC2)nc(-n2cncn2)n1.
What is the InChIKey of 2-chloro-4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The InChIKey is INGZOXLNUWBBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN7/c11-8-14-9(17-4-2-1-3-5-17)16-10(15-8)18-7-12-6-13-18/h6-7H,1-5H2.
What are the key properties of 2-chloro-4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
2-chloro-4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine has a molecular weight of 265.71 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is sourced from PubChem (CID 62868508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).