3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine

C17H23N5 — CID 112942468

IUPAC3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCCN(c1ccccc1)c1cnnc(NC2CCCCC2)n1
InChIInChI=1S/C17H23N5/c1-2-22(15-11-7-4-8-12-15)16-13-18-21-17(20-16)19-14-9-5-3-6-10-14/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3,(H,19,20,21)
InChIKeyITPVROGNMLYRGY-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.77
Rot. Bonds5

About 3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine

3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine (PubChem CID 112942468) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
PubChem CID112942468
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCCN(c1ccccc1)c1cnnc(NC2CCCCC2)n1
InChIInChI=1S/C17H23N5/c1-2-22(15-11-7-4-8-12-15)16-13-18-21-17(20-16)19-14-9-5-3-6-10-14/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3,(H,19,20,21)
InChIKeyITPVROGNMLYRGY-UHFFFAOYSA-N
XLogP3.77
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-cyclopentyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine
CID 112941679
3-N-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112945679
3-N-cyclopentyl-5-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-1,2,4-triazine-3,5-diamine
CID 112941666
5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112950941
5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112948446
5-N-ethyl-3-N-(3-methoxyphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112964343
5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112964348
3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112939367
2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112884385
3-N-cyclohexyl-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112942495
N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109364018
3-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112964389

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine (CID 112942468) is 3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine is CCN(c1ccccc1)c1cnnc(NC2CCCCC2)n1.
What is the InChIKey of 3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The InChIKey is ITPVROGNMLYRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-2-22(15-11-7-4-8-12-15)16-13-18-21-17(20-16)19-14-9-5-3-6-10-14/h4,7-8,11-14H,2-3,5-6,9-10H2,1H3,(H,19,20,21).
What are the key properties of 3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine?
3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine has a molecular weight of 297.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112942468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).