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

C11H21N5O — CID 139316716

IUPACN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2-methylpropanamide
SMILESCCNCc1cn(CCNC(=O)C(C)C)nn1
InChIInChI=1S/C11H21N5O/c1-4-12-7-10-8-16(15-14-10)6-5-13-11(17)9(2)3/h8-9,12H,4-7H2,1-3H3,(H,13,17)
InChIKeyXPGCZZYHPFAJDX-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.16
Rot. Bonds7

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

N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2-methylpropanamide (PubChem CID 139316716) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2-methylpropanamide
PubChem CID139316716
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2-methylpropanamide
SMILESCCNCc1cn(CCNC(=O)C(C)C)nn1
InChIInChI=1S/C11H21N5O/c1-4-12-7-10-8-16(15-14-10)6-5-13-11(17)9(2)3/h8-9,12H,4-7H2,1-3H3,(H,13,17)
InChIKeyXPGCZZYHPFAJDX-UHFFFAOYSA-N
XLogP0.16
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2-methylpropanamide (CID 139316716) is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2-methylpropanamide is CCNCc1cn(CCNC(=O)C(C)C)nn1.
What is the InChIKey of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2-methylpropanamide?
The InChIKey is XPGCZZYHPFAJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-12-7-10-8-16(15-14-10)6-5-13-11(17)9(2)3/h8-9,12H,4-7H2,1-3H3,(H,13,17).
What are the key properties of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2-methylpropanamide?
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2-methylpropanamide has a molecular weight of 239.32 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 139316716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).