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

C7H12N4O3 — CID 93039890

IUPAC6-[[(2R)-1-methoxypropan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESCOC[C@@H](C)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H12N4O3/c1-4(3-14-2)8-5-6(12)9-7(13)11-10-5/h4H,3H2,1-2H3,(H,8,10)(H2,9,11,12,13)/t4-/m1/s1
InChIKeyKNSFMCKTCUETIR-SCSAIBSYSA-N
MW200.20 g/mol
LogP-1.10
Rot. Bonds4

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

6-[[(2R)-1-methoxypropan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 93039890) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 6-[[(2R)-1-methoxypropan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[(2R)-1-methoxypropan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID93039890
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name6-[[(2R)-1-methoxypropan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESCOC[C@@H](C)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H12N4O3/c1-4(3-14-2)8-5-6(12)9-7(13)11-10-5/h4H,3H2,1-2H3,(H,8,10)(H2,9,11,12,13)/t4-/m1/s1
InChIKeyKNSFMCKTCUETIR-SCSAIBSYSA-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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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-1-methoxypropan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[(2R)-1-methoxypropan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione (CID 93039890) is 6-[[(2R)-1-methoxypropan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[(2R)-1-methoxypropan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[(2R)-1-methoxypropan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione is COC[C@@H](C)Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[[(2R)-1-methoxypropan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is KNSFMCKTCUETIR-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-4(3-14-2)8-5-6(12)9-7(13)11-10-5/h4H,3H2,1-2H3,(H,8,10)(H2,9,11,12,13)/t4-/m1/s1.
What are the key properties of 6-[[(2R)-1-methoxypropan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione?
6-[[(2R)-1-methoxypropan-2-yl]amino]-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-[[(2R)-1-methoxypropan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 93039890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).