2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone

C9H15N5O2 — CID 62951063

IUPAC2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone
SMILESNCc1ncn(CC(=O)N2CCOCC2)n1
InChIInChI=1S/C9H15N5O2/c10-5-8-11-7-14(12-8)6-9(15)13-1-3-16-4-2-13/h7H,1-6,10H2
InChIKeyXEDJBLAKBMPNLL-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.40
Rot. Bonds3

About 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone

2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 62951063) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone
PubChem CID62951063
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone
SMILESNCc1ncn(CC(=O)N2CCOCC2)n1
InChIInChI=1S/C9H15N5O2/c10-5-8-11-7-14(12-8)6-9(15)13-1-3-16-4-2-13/h7H,1-6,10H2
InChIKeyXEDJBLAKBMPNLL-UHFFFAOYSA-N
XLogP-1.40
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone (CID 62951063) is 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone is NCc1ncn(CC(=O)N2CCOCC2)n1.
What is the InChIKey of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is XEDJBLAKBMPNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c10-5-8-11-7-14(12-8)6-9(15)13-1-3-16-4-2-13/h7H,1-6,10H2.
What are the key properties of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone?
2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 225.25 g/mol, XLogP of -1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 62951063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).