6-[2-(aminomethyl)morpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C10H17N5O3 — CID 61338378

IUPAC6-[2-(aminomethyl)morpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCOC(CN)C2)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N5O3/c1-13-9(16)8(12-14(2)10(13)17)15-3-4-18-7(5-11)6-15/h7H,3-6,11H2,1-2H3
InChIKeyPKQMUDRPRQPZID-UHFFFAOYSA-N
MW255.28 g/mol
LogP-2.36
Rot. Bonds2

About 6-[2-(aminomethyl)morpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[2-(aminomethyl)morpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 61338378) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-[2-(aminomethyl)morpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(aminomethyl)morpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID61338378
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name6-[2-(aminomethyl)morpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCOC(CN)C2)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N5O3/c1-13-9(16)8(12-14(2)10(13)17)15-3-4-18-7(5-11)6-15/h7H,3-6,11H2,1-2H3
InChIKeyPKQMUDRPRQPZID-UHFFFAOYSA-N
XLogP-2.36
TPSA95.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-2.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)morpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(aminomethyl)morpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 61338378) is 6-[2-(aminomethyl)morpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(aminomethyl)morpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(aminomethyl)morpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N2CCOC(CN)C2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[2-(aminomethyl)morpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is PKQMUDRPRQPZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-13-9(16)8(12-14(2)10(13)17)15-3-4-18-7(5-11)6-15/h7H,3-6,11H2,1-2H3.
What are the key properties of 6-[2-(aminomethyl)morpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[2-(aminomethyl)morpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 255.28 g/mol, XLogP of -2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)morpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61338378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).