5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine

C11H21N5 — CID 112940141

IUPAC5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine
SMILESCCCCNc1nncc(NC(C)(C)C)n1
InChIInChI=1S/C11H21N5/c1-5-6-7-12-10-14-9(8-13-16-10)15-11(2,3)4/h8H,5-7H2,1-4H3,(H2,12,14,15,16)
InChIKeyGFAMCWOXFKGJQN-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.29
Rot. Bonds5

About 5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine

5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine (PubChem CID 112940141) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine
PubChem CID112940141
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine
SMILESCCCCNc1nncc(NC(C)(C)C)n1
InChIInChI=1S/C11H21N5/c1-5-6-7-12-10-14-9(8-13-16-10)15-11(2,3)4/h8H,5-7H2,1-4H3,(H2,12,14,15,16)
InChIKeyGFAMCWOXFKGJQN-UHFFFAOYSA-N
XLogP2.29
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938566
5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938570
5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945299
5-N-butyl-3-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112939909
5-N-butyl-3-N-(4-tert-butylphenyl)-1,2,4-triazine-3,5-diamine
CID 112939983
3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112940162
N-[4-[[3-(butylamino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112940211
5-N-tert-butyl-3-N-[(4-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950065
1-[4-[[3-(butylamino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112940209
3-N-butyl-5-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112940107
5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112942256
3-N-butan-2-yl-5-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112940921

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine (CID 112940141) is 5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine is CCCCNc1nncc(NC(C)(C)C)n1.
What is the InChIKey of 5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine?
The InChIKey is GFAMCWOXFKGJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-5-6-7-12-10-14-9(8-13-16-10)15-11(2,3)4/h8H,5-7H2,1-4H3,(H2,12,14,15,16).
What are the key properties of 5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine?
5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine has a molecular weight of 223.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-3-N-butyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112940141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).