5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine

C15H15N7 — CID 58264394

IUPAC5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine
SMILESNc1ncc(Cc2cn(CC3=Nc4ccccc4C3)nn2)[nH]1
InChIInChI=1S/C15H15N7/c16-15-17-7-11(19-15)6-13-9-22(21-20-13)8-12-5-10-3-1-2-4-14(10)18-12/h1-4,7,9H,5-6,8H2,(H3,16,17,19)
InChIKeyMRXLMCOHKRUBBP-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.50
Rot. Bonds4

About 5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine

5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine (PubChem CID 58264394) has the molecular formula C15H15N7 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine
PubChem CID58264394
Molecular FormulaC15H15N7
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine
SMILESNc1ncc(Cc2cn(CC3=Nc4ccccc4C3)nn2)[nH]1
InChIInChI=1S/C15H15N7/c16-15-17-7-11(19-15)6-13-9-22(21-20-13)8-12-5-10-3-1-2-4-14(10)18-12/h1-4,7,9H,5-6,8H2,(H3,16,17,19)
InChIKeyMRXLMCOHKRUBBP-UHFFFAOYSA-N
XLogP1.50
TPSA97.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;hydrochloride
CID 67064307
5-[[1-(3-phenylprop-2-enyl)triazol-4-yl]methyl]-1H-imidazol-2-amine
CID 76639738
5-[(1-benzyltriazol-4-yl)methyl]-1H-imidazol-2-amine;phenylmethanamine;5-prop-2-ynyl-1H-imidazol-2-amine;dihydrochloride
CID 161072713
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-5-phenylpentan-2-one
CID 58264426
4-[(E)-3-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]-2-methylprop-1-enyl]benzaldehyde
CID 53359660
1,4-dibenzyltriazole
CID 56663361
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane
CID 143882920
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride
CID 67064264
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one
CID 58264369
1-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]heptan-2-one;hydrochloride
CID 169425637
5-[5-[1-[(E)-3-[4-(aminomethyl)phenyl]-2-methylprop-2-enyl]triazol-4-yl]pentyl]-1H-imidazol-2-amine
CID 53359804
bis([1-[(2-bromophenyl)methyl]triazol-4-yl]methanamine);trihydrochloride
CID 163346129

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine?
The IUPAC name of 5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine (CID 58264394) is 5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine?
The canonical SMILES for 5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine is Nc1ncc(Cc2cn(CC3=Nc4ccccc4C3)nn2)[nH]1.
What is the InChIKey of 5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine?
The InChIKey is MRXLMCOHKRUBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7/c16-15-17-7-11(19-15)6-13-9-22(21-20-13)8-12-5-10-3-1-2-4-14(10)18-12/h1-4,7,9H,5-6,8H2,(H3,16,17,19).
What are the key properties of 5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine?
5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine has a molecular weight of 293.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3H-indol-2-ylmethyl)triazol-4-yl]methyl]-1H-imidazol-2-amine is sourced from PubChem (CID 58264394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).