1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine

C9H18N4O — CID 83880333

IUPAC1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine
SMILESCCn1c(CNC)nnc1OC(C)C
InChIInChI=1S/C9H18N4O/c1-5-13-8(6-10-4)11-12-9(13)14-7(2)3/h7,10H,5-6H2,1-4H3
InChIKeyMNQAZYYEPQCMCD-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.80
Rot. Bonds5

About 1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine

1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine (PubChem CID 83880333) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine
PubChem CID83880333
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine
SMILESCCn1c(CNC)nnc1OC(C)C
InChIInChI=1S/C9H18N4O/c1-5-13-8(6-10-4)11-12-9(13)14-7(2)3/h7,10H,5-6H2,1-4H3
InChIKeyMNQAZYYEPQCMCD-UHFFFAOYSA-N
XLogP0.80
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(bromomethyl)-5-ethoxy-4-ethyl-1,2,4-triazole
CID 115399488
1-(4-benzyl-5-methoxy-1,2,4-triazol-3-yl)-N-methylmethanamine
CID 83895262
N-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine
CID 104766003
N-methyl-1-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 83880783
[4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol
CID 112605942
3-(bromomethyl)-4-ethyl-5-(2-methoxypropan-2-yl)-1,2,4-triazole
CID 103022922
3-(methylaminomethyl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione
CID 83880781
N-methyl-1-[1-(2-methylpentan-3-yl)tetrazol-5-yl]methanamine
CID 62763660
N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine
CID 112597376
1-ethyl-7-methyl-8-(methylaminomethyl)-3-propan-2-ylpurine-2,6-dione
CID 82464569
N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine
CID 62762419
3-(bromomethyl)-5-ethoxy-4-propan-2-yl-1,2,4-triazole
CID 115399000

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine (CID 83880333) is 1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine is CCn1c(CNC)nnc1OC(C)C.
What is the InChIKey of 1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine?
The InChIKey is MNQAZYYEPQCMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-5-13-8(6-10-4)11-12-9(13)14-7(2)3/h7,10H,5-6H2,1-4H3.
What are the key properties of 1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine?
1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine has a molecular weight of 198.27 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-propan-2-yloxy-1,2,4-triazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 83880333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).