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

C9H15N5O2 — CID 63766443

IUPAC6-[(4-aminocyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESNC1CCC(Nc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C9H15N5O2/c10-5-1-3-6(4-2-5)11-7-8(15)12-9(16)14-13-7/h5-6H,1-4,10H2,(H,11,13)(H2,12,14,15,16)
InChIKeyITZCYDMOYJEPOB-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.86
Rot. Bonds2

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

6-[(4-aminocyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 63766443) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-[(4-aminocyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-aminocyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID63766443
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name6-[(4-aminocyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESNC1CCC(Nc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C9H15N5O2/c10-5-1-3-6(4-2-5)11-7-8(15)12-9(16)14-13-7/h5-6H,1-4,10H2,(H,11,13)(H2,12,14,15,16)
InChIKeyITZCYDMOYJEPOB-UHFFFAOYSA-N
XLogP-0.86
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminocyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-aminocyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 63766443) is 6-[(4-aminocyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-aminocyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-aminocyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione is NC1CCC(Nc2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-[(4-aminocyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is ITZCYDMOYJEPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c10-5-1-3-6(4-2-5)11-7-8(15)12-9(16)14-13-7/h5-6H,1-4,10H2,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-[(4-aminocyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(4-aminocyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 225.25 g/mol, XLogP of -0.86, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminocyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 63766443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).