3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one

C7H11N5O2 — CID 135634758

IUPAC3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one
SMILESO=c1cnnc(NN2CCOCC2)[nH]1
InChIInChI=1S/C7H11N5O2/c13-6-5-8-10-7(9-6)11-12-1-3-14-4-2-12/h5H,1-4H2,(H2,9,10,11,13)
InChIKeyJQMQOBLFIRWKIZ-UHFFFAOYSA-N
MW197.20 g/mol
LogP-1.18
Rot. Bonds2

About 3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one

3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135634758) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one
PubChem CID135634758
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one
SMILESO=c1cnnc(NN2CCOCC2)[nH]1
InChIInChI=1S/C7H11N5O2/c13-6-5-8-10-7(9-6)11-12-1-3-14-4-2-12/h5H,1-4H2,(H2,9,10,11,13)
InChIKeyJQMQOBLFIRWKIZ-UHFFFAOYSA-N
XLogP-1.18
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one (CID 135634758) is 3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one is O=c1cnnc(NN2CCOCC2)[nH]1.
What is the InChIKey of 3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is JQMQOBLFIRWKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c13-6-5-8-10-7(9-6)11-12-1-3-14-4-2-12/h5H,1-4H2,(H2,9,10,11,13).
What are the key properties of 3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one?
3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 197.20 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135634758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).