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

C7H13N5O2 — CID 82505913

IUPAC6-[1-aminopropan-2-yl(methyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(CN)N(C)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H13N5O2/c1-4(3-8)12(2)5-6(13)9-7(14)11-10-5/h4H,3,8H2,1-2H3,(H2,9,11,13,14)
InChIKeyANEWPWKKDLDCIX-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.76
Rot. Bonds3

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

6-[1-aminopropan-2-yl(methyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 82505913) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 6-[1-aminopropan-2-yl(methyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[1-aminopropan-2-yl(methyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID82505913
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name6-[1-aminopropan-2-yl(methyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(CN)N(C)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H13N5O2/c1-4(3-8)12(2)5-6(13)9-7(14)11-10-5/h4H,3,8H2,1-2H3,(H2,9,11,13,14)
InChIKeyANEWPWKKDLDCIX-UHFFFAOYSA-N
XLogP-1.76
TPSA107.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-aminopropan-2-yl(methyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[1-aminopropan-2-yl(methyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 82505913) is 6-[1-aminopropan-2-yl(methyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[1-aminopropan-2-yl(methyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[1-aminopropan-2-yl(methyl)amino]-2H-1,2,4-triazine-3,5-dione is CC(CN)N(C)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[1-aminopropan-2-yl(methyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is ANEWPWKKDLDCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-4(3-8)12(2)5-6(13)9-7(14)11-10-5/h4H,3,8H2,1-2H3,(H2,9,11,13,14).
What are the key properties of 6-[1-aminopropan-2-yl(methyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[1-aminopropan-2-yl(methyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 199.21 g/mol, XLogP of -1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-aminopropan-2-yl(methyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 82505913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).