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

C9H15N5O2 — CID 93454017

IUPAC6-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESN[C@@H]1CCCC[C@H]1Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H15N5O2/c10-5-3-1-2-4-6(5)11-7-8(15)12-9(16)14-13-7/h5-6H,1-4,10H2,(H,11,13)(H2,12,14,15,16)/t5-,6-/m1/s1
InChIKeyWUVKSOXAZJFORK-PHDIDXHHSA-N
MW225.25 g/mol
LogP-0.86
Rot. Bonds2

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

6-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 93454017) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID93454017
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name6-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESN[C@@H]1CCCC[C@H]1Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H15N5O2/c10-5-3-1-2-4-6(5)11-7-8(15)12-9(16)14-13-7/h5-6H,1-4,10H2,(H,11,13)(H2,12,14,15,16)/t5-,6-/m1/s1
InChIKeyWUVKSOXAZJFORK-PHDIDXHHSA-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

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

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Launch Full Analysis

Related Compounds

6-Piperidin-1-yl-2H-[1,2,4]triazine-3,5-dione
CID 3116143
6-(5,5,5-trifluoropentylamino)-2H-1,2,4-triazine-3,5-dione
CID 115486624
Sdccgsbi-0661557.P001
CID 4783663
6-[(2-Aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 55151132
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]-2H-1,2,4-triazine-3,5-dione
CID 63258629
6-[2-aminopropyl(methyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 63759750
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 93454020
6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione
CID 116653286
6-[[2-(Dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 118917146

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione (CID 93454017) is 6-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione is N[C@@H]1CCCC[C@H]1Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is WUVKSOXAZJFORK-PHDIDXHHSA-N. The full InChI is InChI=1S/C9H15N5O2/c10-5-3-1-2-4-6(5)11-7-8(15)12-9(16)14-13-7/h5-6H,1-4,10H2,(H,11,13)(H2,12,14,15,16)/t5-,6-/m1/s1.
What are the key properties of 6-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione?
6-[[(1R,2R)-2-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-[[(1R,2R)-2-aminocyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 93454017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).