2-amino-N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]acetamide

C11H22N6O — CID 166900273

IUPAC2-amino-N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]acetamide
SMILESCC(C)(C)NCc1cn(CCNC(=O)CN)nn1
InChIInChI=1S/C11H22N6O/c1-11(2,3)14-7-9-8-17(16-15-9)5-4-13-10(18)6-12/h8,14H,4-7,12H2,1-3H3,(H,13,18)
InChIKeyGRTJIHOSDBDUBL-UHFFFAOYSA-N
MW254.34 g/mol
LogP-0.76
Rot. Bonds6

About 2-amino-N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]acetamide

2-amino-N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]acetamide (PubChem CID 166900273) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-amino-N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]acetamide
PubChem CID166900273
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name2-amino-N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]acetamide
SMILESCC(C)(C)NCc1cn(CCNC(=O)CN)nn1
InChIInChI=1S/C11H22N6O/c1-11(2,3)14-7-9-8-17(16-15-9)5-4-13-10(18)6-12/h8,14H,4-7,12H2,1-3H3,(H,13,18)
InChIKeyGRTJIHOSDBDUBL-UHFFFAOYSA-N
XLogP-0.76
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]acetamide (CID 166900273) is 2-amino-N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]acetamide is CC(C)(C)NCc1cn(CCNC(=O)CN)nn1.
What is the InChIKey of 2-amino-N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]acetamide?
The InChIKey is GRTJIHOSDBDUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O/c1-11(2,3)14-7-9-8-17(16-15-9)5-4-13-10(18)6-12/h8,14H,4-7,12H2,1-3H3,(H,13,18).
What are the key properties of 2-amino-N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]acetamide?
2-amino-N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]acetamide has a molecular weight of 254.34 g/mol, XLogP of -0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 166900273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).