N-(2-aminoethyl)-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide

C9H15N5O — CID 178119851

IUPACN-(2-aminoethyl)-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(CCN)Cc1cn(C)nn1
InChIInChI=1S/C9H15N5O/c1-3-9(15)14(5-4-10)7-8-6-13(2)12-11-8/h3,6H,1,4-5,7,10H2,2H3
InChIKeyLHHLGEWTVXBXMK-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.71
Rot. Bonds5

About N-(2-aminoethyl)-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide

N-(2-aminoethyl)-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide (PubChem CID 178119851) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide
PubChem CID178119851
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-(2-aminoethyl)-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(CCN)Cc1cn(C)nn1
InChIInChI=1S/C9H15N5O/c1-3-9(15)14(5-4-10)7-8-6-13(2)12-11-8/h3,6H,1,4-5,7,10H2,2H3
InChIKeyLHHLGEWTVXBXMK-UHFFFAOYSA-N
XLogP-0.71
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol
CID 115778052
N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine
CID 107041743
4-[methyl-[(1-methyltriazol-4-yl)methyl]amino]butan-2-ol
CID 103866978
1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone
CID 107062385
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
3,5-bis(methylsulfanylmethyl)-N,N-bis[(1-methyltriazol-4-yl)methyl]benzamide
CID 164718480
(1-methyltriazol-4-yl)methyl acetate
CID 89224817
3-methyl-1-(1-methyltriazol-4-yl)but-3-en-2-one
CID 107047590
4-methyl-1-(1-methyltriazol-4-yl)hexan-2-one
CID 107062841
3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol
CID 103866980
N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine
CID 107041752
N'-hydroxy-3-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]propanimidamide
CID 107043274

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide?
The IUPAC name of N-(2-aminoethyl)-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide (CID 178119851) is N-(2-aminoethyl)-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide?
The canonical SMILES for N-(2-aminoethyl)-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide is C=CC(=O)N(CCN)Cc1cn(C)nn1.
What is the InChIKey of N-(2-aminoethyl)-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide?
The InChIKey is LHHLGEWTVXBXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-3-9(15)14(5-4-10)7-8-6-13(2)12-11-8/h3,6H,1,4-5,7,10H2,2H3.
What are the key properties of N-(2-aminoethyl)-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide?
N-(2-aminoethyl)-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide has a molecular weight of 209.25 g/mol, XLogP of -0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[(1-methyltriazol-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 178119851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).