N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine

C15H20N6 — CID 103128167

IUPACN-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1nn(C)c2ccccc12
InChIInChI=1S/C15H20N6/c1-4-9-21-13(10-17-19-21)15(16-2)14-11-7-5-6-8-12(11)20(3)18-14/h5-8,10,15-16H,4,9H2,1-3H3
InChIKeyFHQMPLMNMQAAPU-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.88
Rot. Bonds5

About N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine

N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine (PubChem CID 103128167) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine
PubChem CID103128167
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC NameN-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1nn(C)c2ccccc12
InChIInChI=1S/C15H20N6/c1-4-9-21-13(10-17-19-21)15(16-2)14-11-7-5-6-8-12(11)20(3)18-14/h5-8,10,15-16H,4,9H2,1-3H3
InChIKeyFHQMPLMNMQAAPU-UHFFFAOYSA-N
XLogP1.88
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688965
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine
CID 114687409
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103128186
1-[2-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038764
1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103126508
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688524
N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine
CID 114687541
N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine
CID 114687701
(1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine
CID 103128231
N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine
CID 103126250
1-(3-bromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687111
1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103126239

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine (CID 103128167) is N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(NC)c1nn(C)c2ccccc12.
What is the InChIKey of N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine?
The InChIKey is FHQMPLMNMQAAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-4-9-21-13(10-17-19-21)15(16-2)14-11-7-5-6-8-12(11)20(3)18-14/h5-8,10,15-16H,4,9H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine?
N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine has a molecular weight of 284.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 103128167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).