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

C11H19N5O2 — CID 60967566

IUPAC6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(CNc1n[nH]c(=O)[nH]c1=O)CN1CCCC1
InChIInChI=1S/C11H19N5O2/c1-8(7-16-4-2-3-5-16)6-12-9-10(17)13-11(18)15-14-9/h8H,2-7H2,1H3,(H,12,14)(H2,13,15,17,18)
InChIKeyXZDPTFPXUZUSCC-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.40
Rot. Bonds5

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

6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 60967566) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID60967566
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(CNc1n[nH]c(=O)[nH]c1=O)CN1CCCC1
InChIInChI=1S/C11H19N5O2/c1-8(7-16-4-2-3-5-16)6-12-9-10(17)13-11(18)15-14-9/h8H,2-7H2,1H3,(H,12,14)(H2,13,15,17,18)
InChIKeyXZDPTFPXUZUSCC-UHFFFAOYSA-N
XLogP-0.40
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one
CID 78955295
6-hydrazinyl-2,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80914851
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-4,5-diamine
CID 79918788
3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoxalin-2-amine
CID 62993510
5-chloro-2-N-ethyl-4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80831006
5-ethyl-6-hydrazinyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80913903
5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)pyrimidin-4-amine
CID 66340331
6-chloro-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80971664
4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
CID 62994226
N-(2-methyl-3-piperidin-1-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832802
N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
CID 60966697
3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268166

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 60967566) is 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione is CC(CNc1n[nH]c(=O)[nH]c1=O)CN1CCCC1.
What is the InChIKey of 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is XZDPTFPXUZUSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8(7-16-4-2-3-5-16)6-12-9-10(17)13-11(18)15-14-9/h8H,2-7H2,1H3,(H,12,14)(H2,13,15,17,18).
What are the key properties of 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 253.31 g/mol, XLogP of -0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60967566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).