2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide

C10H19N5O — CID 62950155

IUPAC2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1cnc(CN)n1
InChIInChI=1S/C10H19N5O/c1-7(2)8(3)13-10(16)5-15-6-12-9(4-11)14-15/h6-8H,4-5,11H2,1-3H3,(H,13,16)
InChIKeySIHBBPJSEGFWFX-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.10
Rot. Bonds5

About 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide

2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 62950155) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide
PubChem CID62950155
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1cnc(CN)n1
InChIInChI=1S/C10H19N5O/c1-7(2)8(3)13-10(16)5-15-6-12-9(4-11)14-15/h6-8H,4-5,11H2,1-3H3,(H,13,16)
InChIKeySIHBBPJSEGFWFX-UHFFFAOYSA-N
XLogP-0.10
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-pentan-2-ylacetamide
CID 62949978
4-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-methylbutanamide
CID 63891899
2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 105359769
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248179
methyl 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-3-methylbutanoate
CID 54901524
2-amino-3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116735023
2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide
CID 54953710
2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]-N-methylacetamide
CID 105359730
2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 82698784
4-[3-(aminomethyl)-1,2,4-triazol-1-yl]butan-1-ol
CID 62952237
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 64629370
N-butan-2-yl-2-(3-carbamothioyl-1,2,4-triazol-1-yl)acetamide
CID 62950345

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide (CID 62950155) is 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)Cn1cnc(CN)n1.
What is the InChIKey of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is SIHBBPJSEGFWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-7(2)8(3)13-10(16)5-15-6-12-9(4-11)14-15/h6-8H,4-5,11H2,1-3H3,(H,13,16).
What are the key properties of 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide?
2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 225.30 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 62950155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).