2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide

C11H16N6O3 — CID 115460043

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
SMILESCN1C(=O)CCC(NC(=O)Cn2cc(CN)nn2)C1=O
InChIInChI=1S/C11H16N6O3/c1-16-10(19)3-2-8(11(16)20)13-9(18)6-17-5-7(4-12)14-15-17/h5,8H,2-4,6,12H2,1H3,(H,13,18)
InChIKeyKFXNLILSAPMLNY-UHFFFAOYSA-N
MW280.29 g/mol
LogP-2.00
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide (PubChem CID 115460043) has the molecular formula C11H16N6O3 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
PubChem CID115460043
Molecular FormulaC11H16N6O3
Molecular Weight280.29 g/mol
Exact Mass280.13
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
SMILESCN1C(=O)CCC(NC(=O)Cn2cc(CN)nn2)C1=O
InChIInChI=1S/C11H16N6O3/c1-16-10(19)3-2-8(11(16)20)13-9(18)6-17-5-7(4-12)14-15-17/h5,8H,2-4,6,12H2,1H3,(H,13,18)
InChIKeyKFXNLILSAPMLNY-UHFFFAOYSA-N
XLogP-2.00
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylcyclopentyl)acetamide
CID 115459863
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1-methylpiperidine-2,6-dione
CID 66269271
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide
CID 114121457
2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
CID 115459189
1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79321740
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide
CID 115458990
2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 115459133
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 115459572
1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid
CID 103255513
2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427800

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide (CID 115460043) is 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide is CN1C(=O)CCC(NC(=O)Cn2cc(CN)nn2)C1=O.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide?
The InChIKey is KFXNLILSAPMLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3/c1-16-10(19)3-2-8(11(16)20)13-9(18)6-17-5-7(4-12)14-15-17/h5,8H,2-4,6,12H2,1H3,(H,13,18).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide has a molecular weight of 280.29 g/mol, XLogP of -2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide is sourced from PubChem (CID 115460043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).