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

C10H17N5O2 — CID 63258629

IUPAC6-[(2-aminocycloheptyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESNC1CCCCCC1Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H17N5O2/c11-6-4-2-1-3-5-7(6)12-8-9(16)13-10(17)15-14-8/h6-7H,1-5,11H2,(H,12,14)(H2,13,15,16,17)
InChIKeyQSBBEHHRDRKGIN-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.47
Rot. Bonds2

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

6-[(2-aminocycloheptyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 63258629) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-[(2-aminocycloheptyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-aminocycloheptyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID63258629
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name6-[(2-aminocycloheptyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESNC1CCCCCC1Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H17N5O2/c11-6-4-2-1-3-5-7(6)12-8-9(16)13-10(17)15-14-8/h6-7H,1-5,11H2,(H,12,14)(H2,13,15,16,17)
InChIKeyQSBBEHHRDRKGIN-UHFFFAOYSA-N
XLogP-0.47
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[(2-aminocycloheptyl)amino]-2H-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

6-(azepan-1-yl)-2H-1,2,4-triazine-3,5-dione
CID 854683
Sdccgsbi-0661557.P001
CID 4783663
6-[(2-aminocyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61037893
6-[1-(diethylamino)propan-2-ylamino]-2H-1,2,4-triazine-3,5-dione
CID 61808089
6-[(2-aminocyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 63252359
6-[(2-Aminocycloheptyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63258673
6-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 93454017
6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione
CID 166125198
4-ethyl-6-[[(3R)-1-ethylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione
CID 170775246
4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione
CID 177934214
6-(Cycloheptylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 17542138
6-[(1-methylpiperidin-4-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 43410666

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocycloheptyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-aminocycloheptyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 63258629) is 6-[(2-aminocycloheptyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-aminocycloheptyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-aminocycloheptyl)amino]-2H-1,2,4-triazine-3,5-dione is NC1CCCCCC1Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2-aminocycloheptyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is QSBBEHHRDRKGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c11-6-4-2-1-3-5-7(6)12-8-9(16)13-10(17)15-14-8/h6-7H,1-5,11H2,(H,12,14)(H2,13,15,16,17).
What are the key properties of 6-[(2-aminocycloheptyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(2-aminocycloheptyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 239.28 g/mol, XLogP of -0.47, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocycloheptyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63258629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).