6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione

C12H23N5O2 — CID 43410684

IUPAC6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCCN(CC)CCCC(C)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H23N5O2/c1-4-17(5-2)8-6-7-9(3)13-10-11(18)14-12(19)16-15-10/h9H,4-8H2,1-3H3,(H,13,15)(H2,14,16,18,19)
InChIKeyJQPGBOZIGIUQGC-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.38
Rot. Bonds8

About 6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione

6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 43410684) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID43410684
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCCN(CC)CCCC(C)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H23N5O2/c1-4-17(5-2)8-6-7-9(3)13-10-11(18)14-12(19)16-15-10/h9H,4-8H2,1-3H3,(H,13,15)(H2,14,16,18,19)
InChIKeyJQPGBOZIGIUQGC-UHFFFAOYSA-N
XLogP0.38
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione (CID 43410684) is 6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione is CCN(CC)CCCC(C)Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is JQPGBOZIGIUQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-4-17(5-2)8-6-7-9(3)13-10-11(18)14-12(19)16-15-10/h9H,4-8H2,1-3H3,(H,13,15)(H2,14,16,18,19).
What are the key properties of 6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione?
6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 269.35 g/mol, XLogP of 0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(diethylamino)pentan-2-ylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).