1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine

C15H18N6 — CID 106037861

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
SMILESCc1c(CNCc2n[nH]nc2-c2ccccc2)cnn1C
InChIInChI=1S/C15H18N6/c1-11-13(9-17-21(11)2)8-16-10-14-15(19-20-18-14)12-6-4-3-5-7-12/h3-7,9,16H,8,10H2,1-2H3,(H,18,19,20)
InChIKeyQFSXCGASVCMUCJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.80
Rot. Bonds5

About 1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine

1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine (PubChem CID 106037861) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
PubChem CID106037861
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
SMILESCc1c(CNCc2n[nH]nc2-c2ccccc2)cnn1C
InChIInChI=1S/C15H18N6/c1-11-13(9-17-21(11)2)8-16-10-14-15(19-20-18-14)12-6-4-3-5-7-12/h3-7,9,16H,8,10H2,1-2H3,(H,18,19,20)
InChIKeyQFSXCGASVCMUCJ-UHFFFAOYSA-N
XLogP1.80
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 115989437
1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 63641898
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine
CID 106369481
1-(2,3-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103859223
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine
CID 106370291
N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63643321
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626535
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-nitrophenyl)methanamine
CID 79579430
1-(4-tert-butylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103851453
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine
CID 103859234
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624595
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79578493

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine (CID 106037861) is 1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine is Cc1c(CNCc2n[nH]nc2-c2ccccc2)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine?
The InChIKey is QFSXCGASVCMUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-11-13(9-17-21(11)2)8-16-10-14-15(19-20-18-14)12-6-4-3-5-7-12/h3-7,9,16H,8,10H2,1-2H3,(H,18,19,20).
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine has a molecular weight of 282.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine is sourced from PubChem (CID 106037861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).