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

C9H15N5O2 — CID 106618394

IUPAC6-[methyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(CC1CCCN1)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H15N5O2/c1-14(5-6-3-2-4-10-6)7-8(15)11-9(16)13-12-7/h6,10H,2-5H2,1H3,(H2,11,13,15,16)
InChIKeyRVOFXKWELINSPU-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.35
Rot. Bonds3

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

6-[methyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 106618394) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-[methyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[methyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID106618394
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name6-[methyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(CC1CCCN1)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H15N5O2/c1-14(5-6-3-2-4-10-6)7-8(15)11-9(16)13-12-7/h6,10H,2-5H2,1H3,(H2,11,13,15,16)
InChIKeyRVOFXKWELINSPU-UHFFFAOYSA-N
XLogP-1.35
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
3-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106618690
N,4,6-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641961
acetylene;N,N-dimethyl-1-[(2R)-pyrrolidin-2-yl]methanamine;molecular hydrogen
CID 171531463
5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106618723
5-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641981
4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 94333109
N,N-dimethyl-1-piperidin-2-ylmethanamine;dihydrochloride
CID 45075192
6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 106641943
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-3-amine
CID 10750245
N,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 83831221
5-chloro-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 83867973

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[methyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 106618394) is 6-[methyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[methyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[methyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione is CN(CC1CCCN1)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[methyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is RVOFXKWELINSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-14(5-6-3-2-4-10-6)7-8(15)11-9(16)13-12-7/h6,10H,2-5H2,1H3,(H2,11,13,15,16).
What are the key properties of 6-[methyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[methyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 225.25 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 106618394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).