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

C10H17N5O2 — CID 106129063

IUPAC6-[(4-aminocyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESNC1CCC(CNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H17N5O2/c11-7-3-1-6(2-4-7)5-12-8-9(16)13-10(17)15-14-8/h6-7H,1-5,11H2,(H,12,14)(H2,13,15,16,17)
InChIKeySZPRFLRZXKGRCL-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.61
Rot. Bonds3

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

6-[(4-aminocyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 106129063) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-[(4-aminocyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-aminocyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID106129063
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name6-[(4-aminocyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESNC1CCC(CNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H17N5O2/c11-7-3-1-6(2-4-7)5-12-8-9(16)13-10(17)15-14-8/h6-7H,1-5,11H2,(H,12,14)(H2,13,15,16,17)
InChIKeySZPRFLRZXKGRCL-UHFFFAOYSA-N
XLogP-0.61
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminocyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-aminocyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 106129063) is 6-[(4-aminocyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-aminocyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-aminocyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione is NC1CCC(CNc2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-[(4-aminocyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is SZPRFLRZXKGRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c11-7-3-1-6(2-4-7)5-12-8-9(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-[(4-aminocyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(4-aminocyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 239.28 g/mol, XLogP of -0.61, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminocyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 106129063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).