6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione

C9H17N5O2 — CID 115306136

IUPAC6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCCC(N)(CC)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H17N5O2/c1-3-9(10,4-2)5-11-6-7(15)12-8(16)14-13-6/h3-5,10H2,1-2H3,(H,11,13)(H2,12,14,15,16)
InChIKeyUNSYUDDHKVQPOX-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.61
Rot. Bonds5

About 6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione

6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 115306136) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID115306136
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCCC(N)(CC)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H17N5O2/c1-3-9(10,4-2)5-11-6-7(15)12-8(16)14-13-6/h3-5,10H2,1-2H3,(H,11,13)(H2,12,14,15,16)
InChIKeyUNSYUDDHKVQPOX-UHFFFAOYSA-N
XLogP-0.61
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 60754214
6-[1-(diethylamino)propan-2-ylamino]-2H-1,2,4-triazine-3,5-dione
CID 61808089
6-[2-aminopropyl(methyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 63759750
6-[(2-Amino-2-methylpropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 78954767
6-[(2-amino-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 78954839
6-[(2-Amino-2-ethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 113283291
6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione
CID 116653286
6-(1-cyclopropylethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410656
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-propan-2-ylacetamide
CID 43410659
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-propylacetamide
CID 43410665
6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410670
6-[2-[di(propan-2-yl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 43410671

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 115306136) is 6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione is CCC(N)(CC)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is UNSYUDDHKVQPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-3-9(10,4-2)5-11-6-7(15)12-8(16)14-13-6/h3-5,10H2,1-2H3,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 227.27 g/mol, XLogP of -0.61, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 115306136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).