N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine

C13H22N6 — CID 106302295

IUPACN-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCn1cnnc1Cn1cncc1CNCC(C)C
InChIInChI=1S/C13H22N6/c1-4-18-10-16-17-13(18)8-19-9-15-7-12(19)6-14-5-11(2)3/h7,9-11,14H,4-6,8H2,1-3H3
InChIKeyKOQWBIUMMXJIPP-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.29
Rot. Bonds7

About N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 106302295) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID106302295
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCn1cnnc1Cn1cncc1CNCC(C)C
InChIInChI=1S/C13H22N6/c1-4-18-10-16-17-13(18)8-19-9-15-7-12(19)6-14-5-11(2)3/h7,9-11,14H,4-6,8H2,1-3H3
InChIKeyKOQWBIUMMXJIPP-UHFFFAOYSA-N
XLogP1.29
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol
CID 106303410
2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66149320
N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147520
2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 79238144
N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402249
N-[[3-(2,3-dimethylbutyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149137
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 106302438
N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66146061
N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
CID 66135620
2-methyl-N-[[3-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66145702
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147974
2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine
CID 106009311

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine (CID 106302295) is N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine is CCn1cnnc1Cn1cncc1CNCC(C)C.
What is the InChIKey of N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is KOQWBIUMMXJIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-4-18-10-16-17-13(18)8-19-9-15-7-12(19)6-14-5-11(2)3/h7,9-11,14H,4-6,8H2,1-3H3.
What are the key properties of N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 262.36 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106302295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).