2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide

C10H19N5O2 — CID 61107343

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCCN(C(=O)Cn1cnc(N)n1)C(C)COC
InChIInChI=1S/C10H19N5O2/c1-4-15(8(2)6-17-3)9(16)5-14-7-12-10(11)13-14/h7-8H,4-6H2,1-3H3,(H2,11,13)
InChIKeyPIZXPGVVSKTLLZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.26
Rot. Bonds6

About 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 61107343) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide
PubChem CID61107343
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCCN(C(=O)Cn1cnc(N)n1)C(C)COC
InChIInChI=1S/C10H19N5O2/c1-4-15(8(2)6-17-3)9(16)5-14-7-12-10(11)13-14/h7-8H,4-6H2,1-3H3,(H2,11,13)
InChIKeyPIZXPGVVSKTLLZ-UHFFFAOYSA-N
XLogP-0.26
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 51076698
N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53518710
N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53522715
N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
CID 47839833
N-(2-methoxyethyl)-N-pentan-3-yl-2-(tetrazol-1-yl)acetamide
CID 52223081
(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 94020930
2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 55133784
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 61109249
N-(2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53518144
2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide
CID 110225961
N-(3-morpholinopropyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 3705407
N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 13036589

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide (CID 61107343) is 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide is CCN(C(=O)Cn1cnc(N)n1)C(C)COC.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is PIZXPGVVSKTLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-4-15(8(2)6-17-3)9(16)5-14-7-12-10(11)13-14/h7-8H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 241.29 g/mol, XLogP of -0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 61107343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).