6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine

C13H16N4O — CID 79375175

IUPAC6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(OC)ccc2CC1n1cncn1
InChIInChI=1S/C13H16N4O/c1-14-13-11-6-10(18-2)4-3-9(11)5-12(13)17-8-15-7-16-17/h3-4,6-8,12-14H,5H2,1-2H3
InChIKeyMJDCXQBVMZGVBX-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.34
Rot. Bonds3

About 6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79375175) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79375175
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(OC)ccc2CC1n1cncn1
InChIInChI=1S/C13H16N4O/c1-14-13-11-6-10(18-2)4-3-9(11)5-12(13)17-8-15-7-16-17/h3-4,6-8,12-14H,5H2,1-2H3
InChIKeyMJDCXQBVMZGVBX-UHFFFAOYSA-N
XLogP1.34
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248528
6-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79375507
N-ethyl-7-methoxy-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248452
2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375259
2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375752
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 104958462
6-methoxy-2-(4-methoxypiperidin-1-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79370088
6-methoxy-N-methyl-2-(2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79376284
6-methoxy-N-methyl-2-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79370121
2-N-(cyclopropylmethyl)-6-methoxy-1-N,2-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79376461
6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 79370352
2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375426

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine (CID 79375175) is 6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine is CNC1c2cc(OC)ccc2CC1n1cncn1.
What is the InChIKey of 6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MJDCXQBVMZGVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-14-13-11-6-10(18-2)4-3-9(11)5-12(13)17-8-15-7-16-17/h3-4,6-8,12-14H,5H2,1-2H3.
What are the key properties of 6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 244.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79375175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).