N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine

C12H20N6O — CID 74235767

IUPACN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine
SMILESCOCCn1cnnc1CN(C)Cc1cnc(C)[nH]1
InChIInChI=1S/C12H20N6O/c1-10-13-6-11(15-10)7-17(2)8-12-16-14-9-18(12)4-5-19-3/h6,9H,4-5,7-8H2,1-3H3,(H,13,15)
InChIKeyJUJXVNHWWUKICX-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.59
Rot. Bonds7

About N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine

N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine (PubChem CID 74235767) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine
PubChem CID74235767
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine
SMILESCOCCn1cnnc1CN(C)Cc1cnc(C)[nH]1
InChIInChI=1S/C12H20N6O/c1-10-13-6-11(15-10)7-17(2)8-12-16-14-9-18(12)4-5-19-3/h6,9H,4-5,7-8H2,1-3H3,(H,13,15)
InChIKeyJUJXVNHWWUKICX-UHFFFAOYSA-N
XLogP0.59
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine?
The IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine (CID 74235767) is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine.
What is the SMILES notation for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine?
The canonical SMILES for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine is COCCn1cnnc1CN(C)Cc1cnc(C)[nH]1.
What is the InChIKey of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine?
The InChIKey is JUJXVNHWWUKICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-10-13-6-11(15-10)7-17(2)8-12-16-14-9-18(12)4-5-19-3/h6,9H,4-5,7-8H2,1-3H3,(H,13,15).
What are the key properties of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine?
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine has a molecular weight of 264.33 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine is sourced from PubChem (CID 74235767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).