[2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone

C11H17N5O2 — CID 114398160

IUPAC[2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
SMILESNCC1CN(C(=O)c2n[nH]c(C3CC3)n2)CCO1
InChIInChI=1S/C11H17N5O2/c12-5-8-6-16(3-4-18-8)11(17)10-13-9(14-15-10)7-1-2-7/h7-8H,1-6,12H2,(H,13,14,15)
InChIKeyAYPOWQFTSAKJTJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.52
Rot. Bonds3

About [2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone

[2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone (PubChem CID 114398160) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is [2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
PubChem CID114398160
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name[2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
SMILESNCC1CN(C(=O)c2n[nH]c(C3CC3)n2)CCO1
InChIInChI=1S/C11H17N5O2/c12-5-8-6-16(3-4-18-8)11(17)10-13-9(14-15-10)7-1-2-7/h7-8H,1-6,12H2,(H,13,14,15)
InChIKeyAYPOWQFTSAKJTJ-UHFFFAOYSA-N
XLogP-0.52
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
CID 114398187
[(3R)-3-aminopyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
CID 115301643
[3-(1-aminoethyl)pyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
CID 113360699
(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114412324
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437
(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107225213
[2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
CID 107702086
[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone
CID 61339139
[2-(aminomethyl)morpholin-4-yl]-(2,4,6-trimethylphenyl)methanone
CID 61336812
[2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
CID 115315127
[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495
1-[2-(aminomethyl)morpholin-4-yl]but-2-yn-1-one
CID 107990828

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone (CID 114398160) is [2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone is NCC1CN(C(=O)c2n[nH]c(C3CC3)n2)CCO1.
What is the InChIKey of [2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone?
The InChIKey is AYPOWQFTSAKJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c12-5-8-6-16(3-4-18-8)11(17)10-13-9(14-15-10)7-1-2-7/h7-8H,1-6,12H2,(H,13,14,15).
What are the key properties of [2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone?
[2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone has a molecular weight of 251.29 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 114398160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).