N-[(1S)-1-cyclohexylethyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

C22H25N5 — CID 46742343

IUPACN-[(1S)-1-cyclohexylethyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESC[C@H](Nc1nc(-c2ccccn2)nnc1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H25N5/c1-16(17-10-4-2-5-11-17)24-22-20(18-12-6-3-7-13-18)26-27-21(25-22)19-14-8-9-15-23-19/h3,6-9,12-17H,2,4-5,10-11H2,1H3,(H,24,25,27)/t16-/m0/s1
InChIKeySWSOEWNFYYVHKJ-INIZCTEOSA-N
MW359.48 g/mol
LogP4.98
Rot. Bonds5

About N-[(1S)-1-cyclohexylethyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

N-[(1S)-1-cyclohexylethyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 46742343) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID46742343
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC NameN-[(1S)-1-cyclohexylethyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESC[C@H](Nc1nc(-c2ccccn2)nnc1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H25N5/c1-16(17-10-4-2-5-11-17)24-22-20(18-12-6-3-7-13-18)26-27-21(25-22)19-14-8-9-15-23-19/h3,6-9,12-17H,2,4-5,10-11H2,1H3,(H,24,25,27)/t16-/m0/s1
InChIKeySWSOEWNFYYVHKJ-INIZCTEOSA-N
XLogP4.98
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 46742343) is N-[(1S)-1-cyclohexylethyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is C[C@H](Nc1nc(-c2ccccn2)nnc1-c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is SWSOEWNFYYVHKJ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N5/c1-16(17-10-4-2-5-11-17)24-22-20(18-12-6-3-7-13-18)26-27-21(25-22)19-14-8-9-15-23-19/h3,6-9,12-17H,2,4-5,10-11H2,1H3,(H,24,25,27)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
N-[(1S)-1-cyclohexylethyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine has a molecular weight of 359.48 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 46742343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).