N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C9H16N4O2 — CID 112695743

IUPACN-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCC(C)OCC(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C9H16N4O2/c1-7(2)15-5-9(14)13(3)4-8-10-6-11-12-8/h6-7H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyOJJDIJUMDPYCMY-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.19
Rot. Bonds5

About N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 112695743) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID112695743
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCC(C)OCC(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C9H16N4O2/c1-7(2)15-5-9(14)13(3)4-8-10-6-11-12-8/h6-7H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyOJJDIJUMDPYCMY-UHFFFAOYSA-N
XLogP0.19
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64510292
4-amino-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 81080305
N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64518263
2-(4-bromophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512644
N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 102611950
N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64517093
4-amino-3-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 103155987
2-(4-carbamothioylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64518662
4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64519801
N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
CID 79594828
2-(4-chloro-3-methylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512799
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512409

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 112695743) is N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is CC(C)OCC(=O)N(C)Cc1ncn[nH]1.
What is the InChIKey of N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is OJJDIJUMDPYCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-7(2)15-5-9(14)13(3)4-8-10-6-11-12-8/h6-7H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 212.25 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 112695743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).