3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide

C11H21N5O — CID 65267279

IUPAC3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
SMILESCN(Cc1ncn[nH]1)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C11H21N5O/c1-10(2,11(3,4)12)9(17)16(5)6-8-13-7-14-15-8/h7H,6,12H2,1-5H3,(H,13,14,15)
InChIKeyNIYONVHDZREHPC-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.53
Rot. Bonds4

About 3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide

3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide (PubChem CID 65267279) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
PubChem CID65267279
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
SMILESCN(Cc1ncn[nH]1)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C11H21N5O/c1-10(2,11(3,4)12)9(17)16(5)6-8-13-7-14-15-8/h7H,6,12H2,1-5H3,(H,13,14,15)
InChIKeyNIYONVHDZREHPC-UHFFFAOYSA-N
XLogP0.53
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64519414
2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64511690
2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 80556223
4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64519801
N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64510292
4-amino-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 81080305
2,2-dimethyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid
CID 113308290
3-methyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 64702082
N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide
CID 64517066
2-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64511307
4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 80545154
2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid
CID 64519833

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The IUPAC name of 3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide (CID 65267279) is 3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide.
What is the SMILES notation for 3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The canonical SMILES for 3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide is CN(Cc1ncn[nH]1)C(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The InChIKey is NIYONVHDZREHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-10(2,11(3,4)12)9(17)16(5)6-8-13-7-14-15-8/h7H,6,12H2,1-5H3,(H,13,14,15).
What are the key properties of 3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide has a molecular weight of 239.32 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide is sourced from PubChem (CID 65267279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).