6-(cyclopentylmethylamino)-2H-1,2,4-triazine-3,5-dione

C9H14N4O2 — CID 43431824

IUPAC6-(cyclopentylmethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2CCCC2)c(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c14-8-7(12-13-9(15)11-8)10-5-6-3-1-2-4-6/h6H,1-5H2,(H,10,12)(H2,11,13,14,15)
InChIKeyFSJBDNYWHHZQGZ-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.06
Rot. Bonds3

About 6-(cyclopentylmethylamino)-2H-1,2,4-triazine-3,5-dione

6-(cyclopentylmethylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 43431824) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 6-(cyclopentylmethylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(cyclopentylmethylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID43431824
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name6-(cyclopentylmethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2CCCC2)c(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c14-8-7(12-13-9(15)11-8)10-5-6-3-1-2-4-6/h6H,1-5H2,(H,10,12)(H2,11,13,14,15)
InChIKeyFSJBDNYWHHZQGZ-UHFFFAOYSA-N
XLogP0.06
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(cyclopentylmethylamino)-2H-1,2,4-triazine-3,5-dione (CID 43431824) is 6-(cyclopentylmethylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(cyclopentylmethylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(cyclopentylmethylamino)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCC2CCCC2)c(=O)[nH]1.
What is the InChIKey of 6-(cyclopentylmethylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is FSJBDNYWHHZQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-8-7(12-13-9(15)11-8)10-5-6-3-1-2-4-6/h6H,1-5H2,(H,10,12)(H2,11,13,14,15).
What are the key properties of 6-(cyclopentylmethylamino)-2H-1,2,4-triazine-3,5-dione?
6-(cyclopentylmethylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 210.24 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43431824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).