5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine

C13H24N6O — CID 112945299

IUPAC5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
SMILESCC(C)(C)Nc1cnnc(NCCN2CCOCC2)n1
InChIInChI=1S/C13H24N6O/c1-13(2,3)17-11-10-15-18-12(16-11)14-4-5-19-6-8-20-9-7-19/h10H,4-9H2,1-3H3,(H2,14,16,17,18)
InChIKeyYSKHKRNPWVBBPR-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.83
Rot. Bonds5

About 5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine

5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112945299) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112945299
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
SMILESCC(C)(C)Nc1cnnc(NCCN2CCOCC2)n1
InChIInChI=1S/C13H24N6O/c1-13(2,3)17-11-10-15-18-12(16-11)14-4-5-19-6-8-20-9-7-19/h10H,4-9H2,1-3H3,(H2,14,16,17,18)
InChIKeyYSKHKRNPWVBBPR-UHFFFAOYSA-N
XLogP0.83
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945415
5-N-cycloheptyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945300
3-N-(2-morpholin-4-ylethyl)-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112945331
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945380
5-N-[2-(4-methoxyphenyl)ethyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945274
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945103
3-N-(2,6-dimethylphenyl)-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945153
3-N-(2-morpholin-4-ylethyl)-5-N-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112945265
5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945329
5-N-(3-chloro-2-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945342
2-N-tert-butyl-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913170
3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945086

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine (CID 112945299) is 5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine is CC(C)(C)Nc1cnnc(NCCN2CCOCC2)n1.
What is the InChIKey of 5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is YSKHKRNPWVBBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-13(2,3)17-11-10-15-18-12(16-11)14-4-5-19-6-8-20-9-7-19/h10H,4-9H2,1-3H3,(H2,14,16,17,18).
What are the key properties of 5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 280.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112945299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).