3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione

C15H17N7O3 — CID 67307263

IUPAC3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(OCCCN)nnc2n(Cc2cccnc2)c1=O
InChIInChI=1S/C15H17N7O3/c1-21-13(23)11-12(19-20-14(18-11)25-7-3-5-16)22(15(21)24)9-10-4-2-6-17-8-10/h2,4,6,8H,3,5,7,9,16H2,1H3
InChIKeyZOJFAMYEEYYRFV-UHFFFAOYSA-N
MW343.35 g/mol
LogP-0.94
Rot. Bonds6

About 3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione

3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 67307263) has the molecular formula C15H17N7O3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID67307263
Molecular FormulaC15H17N7O3
Molecular Weight343.35 g/mol
Exact Mass343.14
IUPAC Name3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1c(=O)c2nc(OCCCN)nnc2n(Cc2cccnc2)c1=O
InChIInChI=1S/C15H17N7O3/c1-21-13(23)11-12(19-20-14(18-11)25-7-3-5-16)22(15(21)24)9-10-4-2-6-17-8-10/h2,4,6,8H,3,5,7,9,16H2,1H3
InChIKeyZOJFAMYEEYYRFV-UHFFFAOYSA-N
XLogP-0.94
TPSA130.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-3-(2-morpholin-4-ylethoxy)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67307437
3-(3-aminopropoxy)-8-[(3,4-difluorophenyl)methyl]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67308353
3-[4-[2-(2-hydroxyethylamino)ethoxy]phenyl]-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67307797
6-methyl-3-(2-piperidin-1-ylethylamino)-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67307821
6-methyl-8-(pyridin-3-ylmethyl)-3-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67307946
3-[4-[2-(diethylamino)ethylamino]phenyl]-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67306697
8-[(3,4-difluorophenyl)methyl]-6-methyl-3-(3-piperazin-1-ylpropoxy)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 44628953
6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 16761612
1-methyl-7-(4-methylphenyl)-3-(pyridin-3-ylmethyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 53011136
6-ethyl-5-methoxy-1-methyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16801597
8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67309011
8-(cyclopropylmethylsulfonyl)-1,7-dimethyl-3-(pyridin-3-ylmethyl)purine-2,6-dione
CID 146283013

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 67307263) is 3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione is Cn1c(=O)c2nc(OCCCN)nnc2n(Cc2cccnc2)c1=O.
What is the InChIKey of 3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is ZOJFAMYEEYYRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3/c1-21-13(23)11-12(19-20-14(18-11)25-7-3-5-16)22(15(21)24)9-10-4-2-6-17-8-10/h2,4,6,8H,3,5,7,9,16H2,1H3.
What are the key properties of 3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 343.35 g/mol, XLogP of -0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropoxy)-6-methyl-8-(pyridin-3-ylmethyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 67307263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).