6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C14H23N5O2 — CID 106643837

IUPAC6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N(CC2CCCNC2)C2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H23N5O2/c1-17-13(20)12(16-18(2)14(17)21)19(11-5-6-11)9-10-4-3-7-15-8-10/h10-11,15H,3-9H2,1-2H3
InChIKeyXMZPOFWXJVXFHX-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.55
Rot. Bonds4

About 6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 106643837) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID106643837
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N(CC2CCCNC2)C2CC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H23N5O2/c1-17-13(20)12(16-18(2)14(17)21)19(11-5-6-11)9-10-4-3-7-15-8-10/h10-11,15H,3-9H2,1-2H3
InChIKeyXMZPOFWXJVXFHX-UHFFFAOYSA-N
XLogP-0.55
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

2,4-dimethyl-6-(piperidin-3-ylmethoxy)-1,2,4-triazine-3,5-dione
CID 62348744
6-[azepan-4-yl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 107174173
N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)imidazo[4,5-c]pyridin-4-amine
CID 106643721
4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one
CID 106643487
N-cyclopropyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106631170
N-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine
CID 106643652
N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine
CID 106625018
N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106643689
1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one
CID 82500378
N-cyclopropyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 106643898
1-cyclopropyl-3-[ethyl(piperidin-3-ylmethyl)amino]pyrazin-2-one
CID 106643625
6-[cyclopropyl(piperidin-3-ylmethyl)amino]pyridazine-3-carboxamide
CID 106643858

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 106643837) is 6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N(CC2CCCNC2)C2CC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is XMZPOFWXJVXFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-17-13(20)12(16-18(2)14(17)21)19(11-5-6-11)9-10-4-3-7-15-8-10/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 293.37 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 106643837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).