3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

C12H15N5O2 — CID 71818005

IUPAC3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1nc(C2CCCC2)nc2c(=O)n(C)c(=O)nc1-2
InChIInChI=1S/C12H15N5O2/c1-16-11(18)8-10(14-12(16)19)17(2)15-9(13-8)7-5-3-4-6-7/h7H,3-6H2,1-2H3
InChIKeyZLWOYPWDKCWPKJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.03
Rot. Bonds1

About 3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 71818005) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID71818005
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCn1nc(C2CCCC2)nc2c(=O)n(C)c(=O)nc1-2
InChIInChI=1S/C12H15N5O2/c1-16-11(18)8-10(14-12(16)19)17(2)15-9(13-8)7-5-3-4-6-7/h7H,3-6H2,1-2H3
InChIKeyZLWOYPWDKCWPKJ-UHFFFAOYSA-N
XLogP0.03
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 71818005) is 3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is Cn1nc(C2CCCC2)nc2c(=O)n(C)c(=O)nc1-2.
What is the InChIKey of 3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is ZLWOYPWDKCWPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-16-11(18)8-10(14-12(16)19)17(2)15-9(13-8)7-5-3-4-6-7/h7H,3-6H2,1-2H3.
What are the key properties of 3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione?
3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 261.28 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 71818005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).