azane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen

C26H51N9O — CID 161199444

IUPACazane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen
SMILESN.N.N.N.[H][H].[H][H].[H][H].[H][H].c1ccc(Oc2ccc(Nc3nc(C4CCCCC4)nc(N4CCCCC4)n3)cc2)cc1
InChIInChI=1S/C26H31N5O.4H3N.4H2/c1-4-10-20(11-5-1)24-28-25(30-26(29-24)31-18-8-3-9-19-31)27-21-14-16-23(17-15-21)32-22-12-6-2-7-13-22;;;;;;;;/h2,6-7,12-17,20H,1,3-5,8-11,18-19H2,(H,27,28,29,30);4*1H3;4*1H
InChIKeyYZFRXMYOVJZCFM-UHFFFAOYSA-N
MW505.76 g/mol
LogP8.08
Rot. Bonds6

About azane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen

azane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen (PubChem CID 161199444) has the molecular formula C26H51N9O and a molecular weight of 505.76 g/mol. Its IUPAC name is azane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen.

Molecular Properties

Compound Nameazane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen
PubChem CID161199444
Molecular FormulaC26H51N9O
Molecular Weight505.76 g/mol
Exact Mass505.42
IUPAC Nameazane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen
SMILESN.N.N.N.[H][H].[H][H].[H][H].[H][H].c1ccc(Oc2ccc(Nc3nc(C4CCCCC4)nc(N4CCCCC4)n3)cc2)cc1
InChIInChI=1S/C26H31N5O.4H3N.4H2/c1-4-10-20(11-5-1)24-28-25(30-26(29-24)31-18-8-3-9-19-31)27-21-14-16-23(17-15-21)32-22-12-6-2-7-13-22;;;;;;;;/h2,6-7,12-17,20H,1,3-5,8-11,18-19H2,(H,27,28,29,30);4*1H3;4*1H
InChIKeyYZFRXMYOVJZCFM-UHFFFAOYSA-N
XLogP8.08
TPSA203.17 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.76
LogP ≤ 58.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of azane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen?
The IUPAC name of azane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen (CID 161199444) is azane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen.
What is the SMILES notation for azane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen?
The canonical SMILES for azane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen is N.N.N.N.[H][H].[H][H].[H][H].[H][H].c1ccc(Oc2ccc(Nc3nc(C4CCCCC4)nc(N4CCCCC4)n3)cc2)cc1.
What is the InChIKey of azane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen?
The InChIKey is YZFRXMYOVJZCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O.4H3N.4H2/c1-4-10-20(11-5-1)24-28-25(30-26(29-24)31-18-8-3-9-19-31)27-21-14-16-23(17-15-21)32-22-12-6-2-7-13-22;;;;;;;;/h2,6-7,12-17,20H,1,3-5,8-11,18-19H2,(H,27,28,29,30);4*1H3;4*1H.
What are the key properties of azane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen?
azane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen has a molecular weight of 505.76 g/mol, XLogP of 8.08, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen is sourced from PubChem (CID 161199444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).