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

C11H19N5O2 — CID 114398187

IUPAC[2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCCCc1nc(C(=O)N2CCOC(CN)C2)n[nH]1
InChIInChI=1S/C11H19N5O2/c1-2-3-9-13-10(15-14-9)11(17)16-4-5-18-8(6-12)7-16/h8H,2-7,12H2,1H3,(H,13,14,15)
InChIKeySYLVOVWEMLPIHG-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.44
Rot. Bonds4

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

[2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone (PubChem CID 114398187) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is [2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
PubChem CID114398187
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name[2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCCCc1nc(C(=O)N2CCOC(CN)C2)n[nH]1
InChIInChI=1S/C11H19N5O2/c1-2-3-9-13-10(15-14-9)11(17)16-4-5-18-8(6-12)7-16/h8H,2-7,12H2,1H3,(H,13,14,15)
InChIKeySYLVOVWEMLPIHG-UHFFFAOYSA-N
XLogP-0.44
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylate
CID 107858387
[2-(aminomethyl)morpholin-4-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
CID 114398160
(3R)-1-(5-propyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid
CID 81119527
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
CID 80504283
4-(5-propyl-1H-1,2,4-triazole-3-carbonyl)morpholine-3-carboxamide
CID 83096513
2-(aminomethyl)-N-ethylmorpholine-4-carboxamide
CID 61337795
[(3R)-3-aminopyrrolidin-1-yl]-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 115301600
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
CID 103357589
[2-(1-aminoethyl)morpholin-4-yl]-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
CID 115315127
[2-(aminomethyl)morpholin-4-yl]-(2,4,6-trimethylphenyl)methanone
CID 61336812
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437
[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone (CID 114398187) is [2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone is CCCc1nc(C(=O)N2CCOC(CN)C2)n[nH]1.
What is the InChIKey of [2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone?
The InChIKey is SYLVOVWEMLPIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-2-3-9-13-10(15-14-9)11(17)16-4-5-18-8(6-12)7-16/h8H,2-7,12H2,1H3,(H,13,14,15).
What are the key properties of [2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone?
[2-(aminomethyl)morpholin-4-yl]-(5-propyl-1H-1,2,4-triazol-3-yl)methanone has a molecular weight of 253.31 g/mol, XLogP of -0.44, 4 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-propyl-1H-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 114398187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).