2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide

C11H21N5O — CID 64518641

IUPAC2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide
SMILESCCCC(C)(N)C(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C11H21N5O/c1-5-6-11(3,12)10(17)16(4)7-9-13-8(2)14-15-9/h5-7,12H2,1-4H3,(H,13,14,15)
InChIKeyFXORHHLQBLUDMJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.59
Rot. Bonds5

About 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide

2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide (PubChem CID 64518641) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide
PubChem CID64518641
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide
SMILESCCCC(C)(N)C(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C11H21N5O/c1-5-6-11(3,12)10(17)16(4)7-9-13-8(2)14-15-9/h5-7,12H2,1-4H3,(H,13,14,15)
InChIKeyFXORHHLQBLUDMJ-UHFFFAOYSA-N
XLogP0.59
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide?
The IUPAC name of 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide (CID 64518641) is 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide.
What is the SMILES notation for 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide?
The canonical SMILES for 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide is CCCC(C)(N)C(=O)N(C)Cc1n[nH]c(C)n1.
What is the InChIKey of 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide?
The InChIKey is FXORHHLQBLUDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-5-6-11(3,12)10(17)16(4)7-9-13-8(2)14-15-9/h5-7,12H2,1-4H3,(H,13,14,15).
What are the key properties of 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide?
2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide has a molecular weight of 239.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide is sourced from PubChem (CID 64518641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).