2-(tert-butylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide

C8H15N5O — CID 18873853

IUPAC2-(tert-butylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC(C)(C)NCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H15N5O/c1-8(2,3)10-4-6(14)12-7-9-5-11-13-7/h5,10H,4H2,1-3H3,(H2,9,11,12,13,14)
InChIKeyYLKFVWVEGGSTNM-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.13
Rot. Bonds3

About 2-(tert-butylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(tert-butylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 18873853) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID18873853
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-(tert-butylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC(C)(C)NCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C8H15N5O/c1-8(2,3)10-4-6(14)12-7-9-5-11-13-7/h5,10H,4H2,1-3H3,(H2,9,11,12,13,14)
InChIKeyYLKFVWVEGGSTNM-UHFFFAOYSA-N
XLogP0.13
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 18873853) is 2-(tert-butylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide is CC(C)(C)NCC(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-(tert-butylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is YLKFVWVEGGSTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-8(2,3)10-4-6(14)12-7-9-5-11-13-7/h5,10H,4H2,1-3H3,(H2,9,11,12,13,14).
What are the key properties of 2-(tert-butylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(tert-butylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 197.24 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 18873853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).