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

C9H15N5O2 — CID 114695685

IUPAC6-[(2-methylpiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1NCCCC1Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H15N5O2/c1-5-6(3-2-4-10-5)11-7-8(15)12-9(16)14-13-7/h5-6,10H,2-4H2,1H3,(H,11,13)(H2,12,14,15,16)
InChIKeyNCRYESPYLSPKLI-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.99
Rot. Bonds2

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

6-[(2-methylpiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 114695685) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-[(2-methylpiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-methylpiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID114695685
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name6-[(2-methylpiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1NCCCC1Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H15N5O2/c1-5-6(3-2-4-10-5)11-7-8(15)12-9(16)14-13-7/h5-6,10H,2-4H2,1H3,(H,11,13)(H2,12,14,15,16)
InChIKeyNCRYESPYLSPKLI-UHFFFAOYSA-N
XLogP-0.99
TPSA102.67 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 ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-methylcyclopentyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 114547852
6-[(2,6-dimethylpiperidin-1-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 83026805
N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 120726602
6-[(1-methyl-6-oxopiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 64667199
7-[(2-methylpiperidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114695537
N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 120726601
N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114695362
2-methyl-N-(3-methyltriazol-4-yl)piperidin-3-amine
CID 130486758
6-methoxy-5-methyl-N-(2-methylpiperidin-3-yl)pyrimidin-4-amine
CID 114695492
N-methyl-4-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
CID 114695687
6-[methyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 106618394
N-(2-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine
CID 114695446

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-methylpiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione (CID 114695685) is 6-[(2-methylpiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-methylpiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-methylpiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione is CC1NCCCC1Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2-methylpiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is NCRYESPYLSPKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-5-6(3-2-4-10-5)11-7-8(15)12-9(16)14-13-7/h5-6,10H,2-4H2,1H3,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-[(2-methylpiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(2-methylpiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 225.25 g/mol, XLogP of -0.99, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpiperidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 114695685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).