4-chloro-N-(4-ethylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C14H19ClN6 — CID 62863060

IUPAC4-chloro-N-(4-ethylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCC1CCC(Nc2nc(Cl)nc(-n3cccn3)n2)CC1
InChIInChI=1S/C14H19ClN6/c1-2-10-4-6-11(7-5-10)17-13-18-12(15)19-14(20-13)21-9-3-8-16-21/h3,8-11H,2,4-7H2,1H3,(H,17,18,19,20)
InChIKeyDIWHCWSXMRELPI-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.09
Rot. Bonds4

About 4-chloro-N-(4-ethylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(4-ethylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62863060) has the molecular formula C14H19ClN6 and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-N-(4-ethylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-ethylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62863060
Molecular FormulaC14H19ClN6
Molecular Weight306.80 g/mol
Exact Mass306.14
IUPAC Name4-chloro-N-(4-ethylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCC1CCC(Nc2nc(Cl)nc(-n3cccn3)n2)CC1
InChIInChI=1S/C14H19ClN6/c1-2-10-4-6-11(7-5-10)17-13-18-12(15)19-14(20-13)21-9-3-8-16-21/h3,8-11H,2,4-7H2,1H3,(H,17,18,19,20)
InChIKeyDIWHCWSXMRELPI-UHFFFAOYSA-N
XLogP3.09
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-ethylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 62863060) is 4-chloro-N-(4-ethylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-ethylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-ethylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CCC1CCC(Nc2nc(Cl)nc(-n3cccn3)n2)CC1.
What is the InChIKey of 4-chloro-N-(4-ethylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is DIWHCWSXMRELPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6/c1-2-10-4-6-11(7-5-10)17-13-18-12(15)19-14(20-13)21-9-3-8-16-21/h3,8-11H,2,4-7H2,1H3,(H,17,18,19,20).
What are the key properties of 4-chloro-N-(4-ethylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(4-ethylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 306.80 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).