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

C7H12N4O2 — CID 43410699

IUPAC6-(2-methylpropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H12N4O2/c1-4(2)3-8-5-6(12)9-7(13)11-10-5/h4H,3H2,1-2H3,(H,8,10)(H2,9,11,12,13)
InChIKeyIDDCCYQEGGPULO-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.47
Rot. Bonds3

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

6-(2-methylpropylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 43410699) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 6-(2-methylpropylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-methylpropylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID43410699
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name6-(2-methylpropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H12N4O2/c1-4(2)3-8-5-6(12)9-7(13)11-10-5/h4H,3H2,1-2H3,(H,8,10)(H2,9,11,12,13)
InChIKeyIDDCCYQEGGPULO-UHFFFAOYSA-N
XLogP-0.47
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(2-methylpropylamino)-2H-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 1269462
CID 1269462
CID 23272736
CID 23272736
CID 60965764
CID 60965764
CID 63227129
CID 63227129
CID 79040964
CID 79040964
CID 104854500
CID 104854500
CID 114384202
CID 114384202
CID 126973630
CID 126973630
CID 133632272
CID 133632272
CID 133670654
CID 133670654
CID 133672899
CID 133672899
CID 828113
CID 828113

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-methylpropylamino)-2H-1,2,4-triazine-3,5-dione (CID 43410699) is 6-(2-methylpropylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-methylpropylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-methylpropylamino)-2H-1,2,4-triazine-3,5-dione is CC(C)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(2-methylpropylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is IDDCCYQEGGPULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-4(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-methylpropylamino)-2H-1,2,4-triazine-3,5-dione?
6-(2-methylpropylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 184.20 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).