7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H14N6O2 — CID 66282684

IUPAC7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESNCC1CN(c2cc3n[nH]c(=O)n3cn2)CCO1
InChIInChI=1S/C10H14N6O2/c11-4-7-5-15(1-2-18-7)8-3-9-13-14-10(17)16(9)6-12-8/h3,6-7H,1-2,4-5,11H2,(H,14,17)
InChIKeyNOTPAVZVWBKBMD-UHFFFAOYSA-N
MW250.26 g/mol
LogP-1.42
Rot. Bonds2

About 7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282684) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282684
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESNCC1CN(c2cc3n[nH]c(=O)n3cn2)CCO1
InChIInChI=1S/C10H14N6O2/c11-4-7-5-15(1-2-18-7)8-3-9-13-14-10(17)16(9)6-12-8/h3,6-7H,1-2,4-5,11H2,(H,14,17)
InChIKeyNOTPAVZVWBKBMD-UHFFFAOYSA-N
XLogP-1.42
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282684) is 7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is NCC1CN(c2cc3n[nH]c(=O)n3cn2)CCO1.
What is the InChIKey of 7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is NOTPAVZVWBKBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c11-4-7-5-15(1-2-18-7)8-3-9-13-14-10(17)16(9)6-12-8/h3,6-7H,1-2,4-5,11H2,(H,14,17).
What are the key properties of 7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 250.26 g/mol, XLogP of -1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).