2-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylpropanamide

C14H24N6O2 — CID 119311396

IUPAC2-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1
InChIInChI=1S/C14H24N6O2/c1-14(2,15)12(22)17-13-16-10-20(18-13)9-11(21)19-7-5-3-4-6-8-19/h10H,3-9,15H2,1-2H3,(H,17,18,22)
InChIKeyDVKGLLXBANFCMH-UHFFFAOYSA-N
MW308.39 g/mol
LogP0.36
Rot. Bonds4

About 2-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylpropanamide

2-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylpropanamide (PubChem CID 119311396) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylpropanamide
PubChem CID119311396
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name2-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1
InChIInChI=1S/C14H24N6O2/c1-14(2,15)12(22)17-13-16-10-20(18-13)9-11(21)19-7-5-3-4-6-8-19/h10H,3-9,15H2,1-2H3,(H,17,18,22)
InChIKeyDVKGLLXBANFCMH-UHFFFAOYSA-N
XLogP0.36
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylpropanamide (CID 119311396) is 2-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylpropanamide is CC(C)(N)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1.
What is the InChIKey of 2-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylpropanamide?
The InChIKey is DVKGLLXBANFCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-14(2,15)12(22)17-13-16-10-20(18-13)9-11(21)19-7-5-3-4-6-8-19/h10H,3-9,15H2,1-2H3,(H,17,18,22).
What are the key properties of 2-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylpropanamide?
2-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylpropanamide has a molecular weight of 308.39 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 119311396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).