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

C14H19N5 — CID 103884310

IUPAC1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCN1CCc2cc(CNCc3ncn(C)n3)ccc21
InChIInChI=1S/C14H19N5/c1-18-6-5-12-7-11(3-4-13(12)18)8-15-9-14-16-10-19(2)17-14/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyBPOVUXBGCNGOMX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.10
Rot. Bonds4

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

1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 103884310) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID103884310
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCN1CCc2cc(CNCc3ncn(C)n3)ccc21
InChIInChI=1S/C14H19N5/c1-18-6-5-12-7-11(3-4-13(12)18)8-15-9-14-16-10-19(2)17-14/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyBPOVUXBGCNGOMX-UHFFFAOYSA-N
XLogP1.10
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine
CID 62094945
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 55204405
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392909
1-(1-methyl-2,3-dihydroindol-5-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 63247710
1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884413
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 62096654
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 62070317
N-[(1-ethylcyclopropyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 103838456
4-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzene-1,2-diol
CID 103953804
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073
N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 62097009
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 102673240

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 103884310) is 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine is CN1CCc2cc(CNCc3ncn(C)n3)ccc21.
What is the InChIKey of 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is BPOVUXBGCNGOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-18-6-5-12-7-11(3-4-13(12)18)8-15-9-14-16-10-19(2)17-14/h3-4,7,10,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 103884310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).