N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide

C9H17N5O — CID 63332608

IUPACN-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
SMILESCNC(=O)CCNCCc1nncn1C
InChIInChI=1S/C9H17N5O/c1-10-9(15)4-6-11-5-3-8-13-12-7-14(8)2/h7,11H,3-6H2,1-2H3,(H,10,15)
InChIKeyOPUICEVKYJAVRA-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.92
Rot. Bonds6

About N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide

N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide (PubChem CID 63332608) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
PubChem CID63332608
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
SMILESCNC(=O)CCNCCc1nncn1C
InChIInChI=1S/C9H17N5O/c1-10-9(15)4-6-11-5-3-8-13-12-7-14(8)2/h7,11H,3-6H2,1-2H3,(H,10,15)
InChIKeyOPUICEVKYJAVRA-UHFFFAOYSA-N
XLogP-0.92
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 116655956
ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 63332702
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63330181
N-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 55201136
2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol
CID 79355147
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanesulfonamide
CID 114385025
2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 103251288
N-(3-methylbutyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 63332782
N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
CID 63332293
3-ethylsulfonyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 65092737
2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63332560
(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 106932117

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide?
The IUPAC name of N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide (CID 63332608) is N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide.
What is the SMILES notation for N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide?
The canonical SMILES for N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide is CNC(=O)CCNCCc1nncn1C.
What is the InChIKey of N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide?
The InChIKey is OPUICEVKYJAVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-10-9(15)4-6-11-5-3-8-13-12-7-14(8)2/h7,11H,3-6H2,1-2H3,(H,10,15).
What are the key properties of N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide?
N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide has a molecular weight of 211.27 g/mol, XLogP of -0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide is sourced from PubChem (CID 63332608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).