N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide

C12H23N5O2 — CID 66194550

IUPACN-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
SMILESCOCC(C)NC(=O)Cn1cc(CNC(C)C)nn1
InChIInChI=1S/C12H23N5O2/c1-9(2)13-5-11-6-17(16-15-11)7-12(18)14-10(3)8-19-4/h6,9-10,13H,5,7-8H2,1-4H3,(H,14,18)
InChIKeyJYRMHIVIQXGKDM-UHFFFAOYSA-N
MW269.35 g/mol
LogP-0.07
Rot. Bonds8

About N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide

N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide (PubChem CID 66194550) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
PubChem CID66194550
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC NameN-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
SMILESCOCC(C)NC(=O)Cn1cc(CNC(C)C)nn1
InChIInChI=1S/C12H23N5O2/c1-9(2)13-5-11-6-17(16-15-11)7-12(18)14-10(3)8-19-4/h6,9-10,13H,5,7-8H2,1-4H3,(H,14,18)
InChIKeyJYRMHIVIQXGKDM-UHFFFAOYSA-N
XLogP-0.07
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate
CID 113247997
N'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide
CID 66194155
N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719454
N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66193581
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194141
2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 66194455
methyl 2-[4-[(butan-2-ylamino)methyl]triazol-1-yl]acetate
CID 115895226
2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
CID 106188363
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]propanoate
CID 115459166
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
1-(azocan-1-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethanone
CID 66192997

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide (CID 66194550) is N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide is COCC(C)NC(=O)Cn1cc(CNC(C)C)nn1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
The InChIKey is JYRMHIVIQXGKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-9(2)13-5-11-6-17(16-15-11)7-12(18)14-10(3)8-19-4/h6,9-10,13H,5,7-8H2,1-4H3,(H,14,18).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide has a molecular weight of 269.35 g/mol, XLogP of -0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 66194550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).