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

C7H13N5O2 — CID 78954839

IUPAC6-[(2-amino-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)(N)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H13N5O2/c1-7(2,8)3-9-4-5(13)10-6(14)12-11-4/h3,8H2,1-2H3,(H,9,11)(H2,10,12,13,14)
InChIKeyXSCJMRVYXDMURC-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.39
Rot. Bonds3

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

6-[(2-amino-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 78954839) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 6-[(2-amino-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-amino-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID78954839
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name6-[(2-amino-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)(N)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H13N5O2/c1-7(2,8)3-9-4-5(13)10-6(14)12-11-4/h3,8H2,1-2H3,(H,9,11)(H2,10,12,13,14)
InChIKeyXSCJMRVYXDMURC-UHFFFAOYSA-N
XLogP-1.39
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-amino-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 78954839) is 6-[(2-amino-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-amino-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-amino-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione is CC(C)(N)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2-amino-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is XSCJMRVYXDMURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-7(2,8)3-9-4-5(13)10-6(14)12-11-4/h3,8H2,1-2H3,(H,9,11)(H2,10,12,13,14).
What are the key properties of 6-[(2-amino-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(2-amino-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 199.21 g/mol, XLogP of -1.39, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 78954839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).