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

C11H18N4O2 — CID 103765009

IUPAC6-[(1-ethylcyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCCC1(CNc2n[nH]c(=O)[nH]c2=O)CCCC1
InChIInChI=1S/C11H18N4O2/c1-2-11(5-3-4-6-11)7-12-8-9(16)13-10(17)15-14-8/h2-7H2,1H3,(H,12,14)(H2,13,15,16,17)
InChIKeyAIQJUEOBNHRMTO-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.84
Rot. Bonds4

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

6-[(1-ethylcyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 103765009) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-[(1-ethylcyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(1-ethylcyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID103765009
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name6-[(1-ethylcyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCCC1(CNc2n[nH]c(=O)[nH]c2=O)CCCC1
InChIInChI=1S/C11H18N4O2/c1-2-11(5-3-4-6-11)7-12-8-9(16)13-10(17)15-14-8/h2-7H2,1H3,(H,12,14)(H2,13,15,16,17)
InChIKeyAIQJUEOBNHRMTO-UHFFFAOYSA-N
XLogP0.84
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.84
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-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 43410675
6-(cyclohexylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43431800
6-[(4-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 43431804
6-(cyclopentylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43431824
6-(Cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43431825
6-[(3-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 43431826
6-[(4-ethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 54881525
6-(6-methylheptan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 54955074
6-[(2-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 55009871
6-(1-cyclohexylpropylamino)-2H-1,2,4-triazine-3,5-dione
CID 55069698
6-(2-piperidin-3-ylethylamino)-2H-1,2,4-triazine-3,5-dione
CID 55248033

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylcyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(1-ethylcyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 103765009) is 6-[(1-ethylcyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(1-ethylcyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(1-ethylcyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione is CCC1(CNc2n[nH]c(=O)[nH]c2=O)CCCC1.
What is the InChIKey of 6-[(1-ethylcyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is AIQJUEOBNHRMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-11(5-3-4-6-11)7-12-8-9(16)13-10(17)15-14-8/h2-7H2,1H3,(H,12,14)(H2,13,15,16,17).
What are the key properties of 6-[(1-ethylcyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(1-ethylcyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 238.29 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylcyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103765009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).