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

C13H22N6 — CID 114531650

IUPAC2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
SMILESCn1ccnc1CCn1ncnc1CNC(C)(C)C
InChIInChI=1S/C13H22N6/c1-13(2,3)16-9-12-15-10-17-19(12)7-5-11-14-6-8-18(11)4/h6,8,10,16H,5,7,9H2,1-4H3
InChIKeyLIHVNUUCGKNIBW-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.14
Rot. Bonds5

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

2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine (PubChem CID 114531650) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
PubChem CID114531650
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
SMILESCn1ccnc1CCn1ncnc1CNC(C)(C)C
InChIInChI=1S/C13H22N6/c1-13(2,3)16-9-12-15-10-17-19(12)7-5-11-14-6-8-18(11)4/h6,8,10,16H,5,7,9H2,1-4H3
InChIKeyLIHVNUUCGKNIBW-UHFFFAOYSA-N
XLogP1.14
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 114531647
2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine
CID 64503751
2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine
CID 114528934
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740
N-tert-butyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528242
3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 65039838
2-methyl-N-[[2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 107447511
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
methanamine;1-methyl-2-propylimidazole
CID 164902083
2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60956793
2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 61220570

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine (CID 114531650) is 2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine is Cn1ccnc1CCn1ncnc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine?
The InChIKey is LIHVNUUCGKNIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-13(2,3)16-9-12-15-10-17-19(12)7-5-11-14-6-8-18(11)4/h6,8,10,16H,5,7,9H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine?
2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine has a molecular weight of 262.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114531650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).