2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine

C14H19ClN6 — CID 103500945

IUPAC2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
SMILESCC(C)C1CCN(c2nc(Cl)nc(-n3cccn3)n2)CC1
InChIInChI=1S/C14H19ClN6/c1-10(2)11-4-8-20(9-5-11)13-17-12(15)18-14(19-13)21-7-3-6-16-21/h3,6-7,10-11H,4-5,8-9H2,1-2H3
InChIKeyFNIQBBTVSTUWPV-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.58
Rot. Bonds3

About 2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine

2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine (PubChem CID 103500945) has the molecular formula C14H19ClN6 and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
PubChem CID103500945
Molecular FormulaC14H19ClN6
Molecular Weight306.80 g/mol
Exact Mass306.14
IUPAC Name2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
SMILESCC(C)C1CCN(c2nc(Cl)nc(-n3cccn3)n2)CC1
InChIInChI=1S/C14H19ClN6/c1-10(2)11-4-8-20(9-5-11)13-17-12(15)18-14(19-13)21-7-3-6-16-21/h3,6-7,10-11H,4-5,8-9H2,1-2H3
InChIKeyFNIQBBTVSTUWPV-UHFFFAOYSA-N
XLogP2.58
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)azepane
CID 62869697
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)-1,4-thiazinane 1-oxide
CID 62865159
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-methylmorpholine
CID 62870214
1-[1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]ethanol
CID 106836961
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
1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764921
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one
CID 62868187
4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 103504632
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-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
CID 62864402
2-butan-2-ylsulfanyl-4-chloro-6-pyrazol-1-yl-1,3,5-triazine
CID 62865603

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine (CID 103500945) is 2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine is CC(C)C1CCN(c2nc(Cl)nc(-n3cccn3)n2)CC1.
What is the InChIKey of 2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine?
The InChIKey is FNIQBBTVSTUWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6/c1-10(2)11-4-8-20(9-5-11)13-17-12(15)18-14(19-13)21-7-3-6-16-21/h3,6-7,10-11H,4-5,8-9H2,1-2H3.
What are the key properties of 2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine?
2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine has a molecular weight of 306.80 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 103500945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).