N-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide

C9H17N5O — CID 62755761

IUPACN-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1cn(C)nn1
InChIInChI=1S/C9H17N5O/c1-4-10-9(15)7(2)11-5-8-6-14(3)13-12-8/h6-7,11H,4-5H2,1-3H3,(H,10,15)
InChIKeyDAVXVFLSRMAGMT-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.57
Rot. Bonds5

About N-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide

N-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide (PubChem CID 62755761) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide
PubChem CID62755761
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1cn(C)nn1
InChIInChI=1S/C9H17N5O/c1-4-10-9(15)7(2)11-5-8-6-14(3)13-12-8/h6-7,11H,4-5H2,1-3H3,(H,10,15)
InChIKeyDAVXVFLSRMAGMT-UHFFFAOYSA-N
XLogP-0.57
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(1-methyltriazol-4-yl)methylamino]butan-1-ol
CID 104980852
N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 60696120
4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one
CID 107061983
N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757413
3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one
CID 107061961
N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide
CID 18546205
(1S)-N-[(1-methyltriazol-4-yl)methyl]-1-phenylethanamine
CID 79033159
(1R)-N-[(1-methyltriazol-4-yl)methyl]-1-phenylethanamine
CID 79032580
2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide
CID 43778264
4-methylsulfinyl-N-[(1-methyltriazol-4-yl)methyl]butan-2-amine
CID 115697689
N-[(1-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 62757202
1-(4-methylsulfanylphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 62756861

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide?
The IUPAC name of N-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide (CID 62755761) is N-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide is CCNC(=O)C(C)NCc1cn(C)nn1.
What is the InChIKey of N-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide?
The InChIKey is DAVXVFLSRMAGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-4-10-9(15)7(2)11-5-8-6-14(3)13-12-8/h6-7,11H,4-5H2,1-3H3,(H,10,15).
What are the key properties of N-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide?
N-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide has a molecular weight of 211.27 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 62755761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).