1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

C15H20N6 — CID 103127544

IUPAC1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(C)n1ncnc1CC(N)c1nn(C)c2ccccc12
InChIInChI=1S/C15H20N6/c1-10(2)21-14(17-9-18-21)8-12(16)15-11-6-4-5-7-13(11)20(3)19-15/h4-7,9-10,12H,8,16H2,1-3H3
InChIKeyYSISJICQHCNFMN-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.99
Rot. Bonds4

About 1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 103127544) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID103127544
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(C)n1ncnc1CC(N)c1nn(C)c2ccccc12
InChIInChI=1S/C15H20N6/c1-10(2)21-14(17-9-18-21)8-12(16)15-11-6-4-5-7-13(11)20(3)19-15/h4-7,9-10,12H,8,16H2,1-3H3
InChIKeyYSISJICQHCNFMN-UHFFFAOYSA-N
XLogP1.99
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126528
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 103127966
2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126355
2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103127876
3-methyl-1-(1-methylindazol-3-yl)hexan-1-amine
CID 103126789
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 104999438
2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126026
2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103128466
2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103127460
3-(difluoromethyl)-1-methylindazole
CID 153487584

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 103127544) is 1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is CC(C)n1ncnc1CC(N)c1nn(C)c2ccccc12.
What is the InChIKey of 1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is YSISJICQHCNFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-10(2)21-14(17-9-18-21)8-12(16)15-11-6-4-5-7-13(11)20(3)19-15/h4-7,9-10,12H,8,16H2,1-3H3.
What are the key properties of 1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 284.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 103127544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).