6-(2-methoxypropylamino)-2H-1,2,4-triazine-3,5-dione

C7H12N4O3 — CID 102699019

IUPAC6-(2-methoxypropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCOC(C)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H12N4O3/c1-4(14-2)3-8-5-6(12)9-7(13)11-10-5/h4H,3H2,1-2H3,(H,8,10)(H2,9,11,12,13)
InChIKeyRXADBNKIJHKZSV-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.10
Rot. Bonds4

About 6-(2-methoxypropylamino)-2H-1,2,4-triazine-3,5-dione

6-(2-methoxypropylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 102699019) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 6-(2-methoxypropylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-methoxypropylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID102699019
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name6-(2-methoxypropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCOC(C)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H12N4O3/c1-4(14-2)3-8-5-6(12)9-7(13)11-10-5/h4H,3H2,1-2H3,(H,8,10)(H2,9,11,12,13)
InChIKeyRXADBNKIJHKZSV-UHFFFAOYSA-N
XLogP-1.10
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate
CID 1555500
methylethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate
CID 2787752
ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]acetate
CID 1241433
methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate
CID 1380206
6-[2-(2,2,2-trifluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 55032173
6-[2-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 103081408
6-[(3,3-difluoro-2-hydroxypropyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103731311
Propan-2-yl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]acetate
CID 682222
6-(2-hydroxyethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43411305
6-[(2-amino-3-methoxypropyl)-methylamino]-2H-1,2,4-triazine-3,5-dione
CID 63759056
propan-2-yl (2R)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanoate
CID 716775
propan-2-yl (2S)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanoate
CID 716777

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxypropylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-methoxypropylamino)-2H-1,2,4-triazine-3,5-dione (CID 102699019) is 6-(2-methoxypropylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-methoxypropylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-methoxypropylamino)-2H-1,2,4-triazine-3,5-dione is COC(C)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(2-methoxypropylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is RXADBNKIJHKZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-4(14-2)3-8-5-6(12)9-7(13)11-10-5/h4H,3H2,1-2H3,(H,8,10)(H2,9,11,12,13).
What are the key properties of 6-(2-methoxypropylamino)-2H-1,2,4-triazine-3,5-dione?
6-(2-methoxypropylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 200.20 g/mol, XLogP of -1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxypropylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 102699019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).