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

C7H13N5O3 — CID 106182200

IUPAC6-[(1-amino-3-methoxypropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCOCC(CN)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H13N5O3/c1-15-3-4(2-8)9-5-6(13)10-7(14)12-11-5/h4H,2-3,8H2,1H3,(H,9,11)(H2,10,12,13,14)
InChIKeyMUVXHRFDZXOETL-UHFFFAOYSA-N
MW215.21 g/mol
LogP-2.16
Rot. Bonds5

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

6-[(1-amino-3-methoxypropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 106182200) has the molecular formula C7H13N5O3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-[(1-amino-3-methoxypropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-amino-3-methoxypropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID106182200
Molecular FormulaC7H13N5O3
Molecular Weight215.21 g/mol
Exact Mass215.10
IUPAC Name6-[(1-amino-3-methoxypropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCOCC(CN)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H13N5O3/c1-15-3-4(2-8)9-5-6(13)10-7(14)12-11-5/h4H,2-3,8H2,1H3,(H,9,11)(H2,10,12,13,14)
InChIKeyMUVXHRFDZXOETL-UHFFFAOYSA-N
XLogP-2.16
TPSA125.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-3-methoxypropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-amino-3-methoxypropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione (CID 106182200) is 6-[(1-amino-3-methoxypropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-amino-3-methoxypropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-amino-3-methoxypropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione is COCC(CN)Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(1-amino-3-methoxypropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is MUVXHRFDZXOETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3/c1-15-3-4(2-8)9-5-6(13)10-7(14)12-11-5/h4H,2-3,8H2,1H3,(H,9,11)(H2,10,12,13,14).
What are the key properties of 6-[(1-amino-3-methoxypropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(1-amino-3-methoxypropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 215.21 g/mol, XLogP of -2.16, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-3-methoxypropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 106182200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).