2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C8H15N5O — CID 64519414

IUPAC2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCN(Cc1ncn[nH]1)C(=O)C(C)(C)N
InChIInChI=1S/C8H15N5O/c1-8(2,9)7(14)13(3)4-6-10-5-11-12-6/h5H,4,9H2,1-3H3,(H,10,11,12)
InChIKeyHMDVOBMAPPHRIR-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.50
Rot. Bonds3

About 2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 64519414) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID64519414
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCN(Cc1ncn[nH]1)C(=O)C(C)(C)N
InChIInChI=1S/C8H15N5O/c1-8(2,9)7(14)13(3)4-6-10-5-11-12-6/h5H,4,9H2,1-3H3,(H,10,11,12)
InChIKeyHMDVOBMAPPHRIR-UHFFFAOYSA-N
XLogP-0.50
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 65267279
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
3-methyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 64702082
2,2-dimethyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid
CID 113308290
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 2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 64519414) is 2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CN(Cc1ncn[nH]1)C(=O)C(C)(C)N.
What is the InChIKey of 2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is HMDVOBMAPPHRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-8(2,9)7(14)13(3)4-6-10-5-11-12-6/h5H,4,9H2,1-3H3,(H,10,11,12).
What are the key properties of 2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 197.24 g/mol, XLogP of -0.50, 3 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-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 64519414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).