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

C13H22N6 — CID 114532070

IUPAC2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ncn(CCc2nccn2C)n1
InChIInChI=1S/C13H22N6/c1-11(2)8-14-9-12-16-10-19(17-12)6-4-13-15-5-7-18(13)3/h5,7,10-11,14H,4,6,8-9H2,1-3H3
InChIKeyRCZZUCISWJXWRP-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.00
Rot. Bonds7

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

2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine (PubChem CID 114532070) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine
PubChem CID114532070
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ncn(CCc2nccn2C)n1
InChIInChI=1S/C13H22N6/c1-11(2)8-14-9-12-16-10-19(17-12)6-4-13-15-5-7-18(13)3/h5,7,10-11,14H,4,6,8-9H2,1-3H3
InChIKeyRCZZUCISWJXWRP-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 64664391
2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66149320
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 64570643
2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63296087
1-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]imidazole
CID 114531887
N-[[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 82924328
1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine
CID 114527828
2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine
CID 83158054
4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol
CID 115644645
N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine
CID 114532985
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine (CID 114532070) is 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine is CC(C)CNCc1ncn(CCc2nccn2C)n1.
What is the InChIKey of 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine?
The InChIKey is RCZZUCISWJXWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-11(2)8-14-9-12-16-10-19(17-12)6-4-13-15-5-7-18(13)3/h5,7,10-11,14H,4,6,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine has a molecular weight of 262.36 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114532070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).