N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide

C11H21N5O — CID 66194200

IUPACN-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
SMILESCNC(=O)C(C)n1cc(CNCC(C)C)nn1
InChIInChI=1S/C11H21N5O/c1-8(2)5-13-6-10-7-16(15-14-10)9(3)11(17)12-4/h7-9,13H,5-6H2,1-4H3,(H,12,17)
InChIKeyGUDDARGERQLNDT-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.33
Rot. Bonds6

About N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide

N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide (PubChem CID 66194200) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
PubChem CID66194200
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
SMILESCNC(=O)C(C)n1cc(CNCC(C)C)nn1
InChIInChI=1S/C11H21N5O/c1-8(2)5-13-6-10-7-16(15-14-10)9(3)11(17)12-4/h7-9,13H,5-6H2,1-4H3,(H,12,17)
InChIKeyGUDDARGERQLNDT-UHFFFAOYSA-N
XLogP0.33
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide
CID 66194489
N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66194414
2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66192869
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-methylpropanamide
CID 66192085
2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide
CID 116642219
2-[4-(methylaminomethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 66214641
2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide
CID 130567345
2-(4-formyltriazol-1-yl)-N-methylpropanamide
CID 66216391
N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide
CID 66192312
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide
CID 66194678
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide
CID 66205010
methyl 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetate
CID 115876973

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide?
The IUPAC name of N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide (CID 66194200) is N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide.
What is the SMILES notation for N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide?
The canonical SMILES for N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide is CNC(=O)C(C)n1cc(CNCC(C)C)nn1.
What is the InChIKey of N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide?
The InChIKey is GUDDARGERQLNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-8(2)5-13-6-10-7-16(15-14-10)9(3)11(17)12-4/h7-9,13H,5-6H2,1-4H3,(H,12,17).
What are the key properties of N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide?
N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide has a molecular weight of 239.32 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide is sourced from PubChem (CID 66194200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).