6-[(1-methylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione

C8H12N4O2 — CID 103724974

IUPAC6-[(1-methylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1(CNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C8H12N4O2/c1-8(2-3-8)4-9-5-6(13)10-7(14)12-11-5/h2-4H2,1H3,(H,9,11)(H2,10,12,13,14)
InChIKeySJCSRFHQVJHRAA-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.33
Rot. Bonds3

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

6-[(1-methylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 103724974) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 6-[(1-methylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-methylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID103724974
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name6-[(1-methylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1(CNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C8H12N4O2/c1-8(2-3-8)4-9-5-6(13)10-7(14)12-11-5/h2-4H2,1H3,(H,9,11)(H2,10,12,13,14)
InChIKeySJCSRFHQVJHRAA-UHFFFAOYSA-N
XLogP-0.33
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-(dimethylamino)-2-methylpropyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 60754214
6-[(2-amino-2-methylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 78954839
6-[(2-amino-2-ethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 115306136
6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione
CID 116653286
N-cyclopropyl-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
CID 43410651
6-(1-cyclopropylethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410656
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-propylacetamide
CID 43410665
6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410670
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 43410676
6-(pentan-3-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410688
6-(propylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410690
6-(cyclopropylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410691

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-methylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 103724974) is 6-[(1-methylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-methylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-methylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione is CC1(CNc2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-[(1-methylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is SJCSRFHQVJHRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-8(2-3-8)4-9-5-6(13)10-7(14)12-11-5/h2-4H2,1H3,(H,9,11)(H2,10,12,13,14).
What are the key properties of 6-[(1-methylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(1-methylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 196.21 g/mol, XLogP of -0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103724974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).