2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide

C9H17N5O — CID 66194489

IUPAC2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide
SMILESCCNCc1cn(C(C)C(=O)NC)nn1
InChIInChI=1S/C9H17N5O/c1-4-11-5-8-6-14(13-12-8)7(2)9(15)10-3/h6-7,11H,4-5H2,1-3H3,(H,10,15)
InChIKeyCVFXMXAVJPCIQZ-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.31
Rot. Bonds5

About 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide

2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide (PubChem CID 66194489) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide
PubChem CID66194489
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide
SMILESCCNCc1cn(C(C)C(=O)NC)nn1
InChIInChI=1S/C9H17N5O/c1-4-11-5-8-6-14(13-12-8)7(2)9(15)10-3/h6-7,11H,4-5H2,1-3H3,(H,10,15)
InChIKeyCVFXMXAVJPCIQZ-UHFFFAOYSA-N
XLogP-0.31
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 ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66194200
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide
CID 66192085
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide
CID 66194678
2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide
CID 116642219
2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 66214641
N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66194414
2-(4-formyltriazol-1-yl)-N-methylpropanamide
CID 66216391
2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66192869
N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide
CID 66192312
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide
CID 66205010
2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide
CID 130567345
2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide
CID 62400159

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide (CID 66194489) is 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide is CCNCc1cn(C(C)C(=O)NC)nn1.
What is the InChIKey of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide?
The InChIKey is CVFXMXAVJPCIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-4-11-5-8-6-14(13-12-8)7(2)9(15)10-3/h6-7,11H,4-5H2,1-3H3,(H,10,15).
What are the key properties of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide?
2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide has a molecular weight of 211.27 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 66194489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).