3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide

C11H20N6O2 — CID 106276726

IUPAC3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H20N6O2/c1-11(2,10(19)13-3)7-14-9(18)6-17-5-8(4-12)15-16-17/h5H,4,6-7,12H2,1-3H3,(H,13,19)(H,14,18)
InChIKeyNJNIFMDNHHFIAH-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.37
Rot. Bonds6

About 3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide

3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106276726) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide
PubChem CID106276726
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H20N6O2/c1-11(2,10(19)13-3)7-14-9(18)6-17-5-8(4-12)15-16-17/h5H,4,6-7,12H2,1-3H3,(H,13,19)(H,14,18)
InChIKeyNJNIFMDNHHFIAH-UHFFFAOYSA-N
XLogP-1.37
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
3-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106274649
2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide
CID 106186838
2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 62054135
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-4-methylpentanoic acid
CID 115459751
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66191701
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide
CID 115459933
2-[4-(4-aminobutyl)triazol-1-yl]-N-methylacetamide
CID 106209353
2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 55029749
3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-2-methoxypropanoic acid
CID 106109016
2-[4-(aminomethyl)triazol-1-yl]-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 115459995

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide (CID 106276726) is 3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(=O)Cn1cc(CN)nn1.
What is the InChIKey of 3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is NJNIFMDNHHFIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-11(2,10(19)13-3)7-14-9(18)6-17-5-8(4-12)15-16-17/h5H,4,6-7,12H2,1-3H3,(H,13,19)(H,14,18).
What are the key properties of 3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide?
3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 268.32 g/mol, XLogP of -1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106276726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).