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

C9H14N4O2 — CID 103736786

IUPAC6-[(1-ethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCCC1(CNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C9H14N4O2/c1-2-9(3-4-9)5-10-6-7(14)11-8(15)13-12-6/h2-5H2,1H3,(H,10,12)(H2,11,13,14,15)
InChIKeyIXLILMNFCYEBCV-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.06
Rot. Bonds4

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

6-[(1-ethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 103736786) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 6-[(1-ethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-ethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID103736786
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name6-[(1-ethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCCC1(CNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C9H14N4O2/c1-2-9(3-4-9)5-10-6-7(14)11-8(15)13-12-6/h2-5H2,1H3,(H,10,12)(H2,11,13,14,15)
InChIKeyIXLILMNFCYEBCV-UHFFFAOYSA-N
XLogP0.06
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
6-(1-cyclopropylethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410656
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 43410676
6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410703
6-(butylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410707
6-(pentylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410716
6-(pentan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 43424217
6-(cyclopropylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43431818
6-(2,2-dimethylpropylamino)-2H-1,2,4-triazine-3,5-dione
CID 61168629
6-[(2,2-dimethylcyclopropyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61222032
6-(3-methylpentan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 61397774

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-ethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 103736786) is 6-[(1-ethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-ethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-ethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione is CCC1(CNc2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-[(1-ethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is IXLILMNFCYEBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-9(3-4-9)5-10-6-7(14)11-8(15)13-12-6/h2-5H2,1H3,(H,10,12)(H2,11,13,14,15).
What are the key properties of 6-[(1-ethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(1-ethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 210.24 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103736786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).