1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane

C12H15ClN6 — CID 62869697

IUPAC1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane
SMILESClc1nc(N2CCCCCC2)nc(-n2cccn2)n1
InChIInChI=1S/C12H15ClN6/c13-10-15-11(18-7-3-1-2-4-8-18)17-12(16-10)19-9-5-6-14-19/h5-6,9H,1-4,7-8H2
InChIKeyUZNKTEAHAGXVBD-UHFFFAOYSA-N
MW278.75 g/mol
LogP2.09
Rot. Bonds2

About 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane

1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane (PubChem CID 62869697) has the molecular formula C12H15ClN6 and a molecular weight of 278.75 g/mol. Its IUPAC name is 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane.

Molecular Properties

Compound Name1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane
PubChem CID62869697
Molecular FormulaC12H15ClN6
Molecular Weight278.75 g/mol
Exact Mass278.10
IUPAC Name1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane
SMILESClc1nc(N2CCCCCC2)nc(-n2cccn2)n1
InChIInChI=1S/C12H15ClN6/c13-10-15-11(18-7-3-1-2-4-8-18)17-12(16-10)19-9-5-6-14-19/h5-6,9H,1-4,7-8H2
InChIKeyUZNKTEAHAGXVBD-UHFFFAOYSA-N
XLogP2.09
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80765065
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide
CID 62865159
2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
CID 103500945
2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
CID 62862834
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one
CID 62868187
2-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931341
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine
CID 62870214
1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65324477
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80764933
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
CID 63607830

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane?
The IUPAC name of 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane (CID 62869697) is 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane.
What is the SMILES notation for 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane?
The canonical SMILES for 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane is Clc1nc(N2CCCCCC2)nc(-n2cccn2)n1.
What is the InChIKey of 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane?
The InChIKey is UZNKTEAHAGXVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6/c13-10-15-11(18-7-3-1-2-4-8-18)17-12(16-10)19-9-5-6-14-19/h5-6,9H,1-4,7-8H2.
What are the key properties of 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane?
1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane has a molecular weight of 278.75 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane is sourced from PubChem (CID 62869697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).