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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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).