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

C15H18N6 — CID 115989437

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
SMILESCc1nn(C)cc1CNCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H18N6/c1-11-13(10-21(2)19-11)8-16-9-14-15(18-20-17-14)12-6-4-3-5-7-12/h3-7,10,16H,8-9H2,1-2H3,(H,17,18,20)
InChIKeyFPNNEPBDJDPHAC-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.80
Rot. Bonds5

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

1-(1,3-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine (PubChem CID 115989437) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
PubChem CID115989437
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
SMILESCc1nn(C)cc1CNCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H18N6/c1-11-13(10-21(2)19-11)8-16-9-14-15(18-20-17-14)12-6-4-3-5-7-12/h3-7,10,16H,8-9H2,1-2H3,(H,17,18,20)
InChIKeyFPNNEPBDJDPHAC-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-(1,5-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 106037861
1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 63641898
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 115767728
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine
CID 106370291
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(5-phenyl-2H-triazol-4-yl)methanamine
CID 106369481
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 115989344
N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63643321
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106415660
N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide
CID 115768047
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126967664
N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine
CID 107236118

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine (CID 115989437) is 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine is Cc1nn(C)cc1CNCc1n[nH]nc1-c1ccccc1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine?
The InChIKey is FPNNEPBDJDPHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-11-13(10-21(2)19-11)8-16-9-14-15(18-20-17-14)12-6-4-3-5-7-12/h3-7,10,16H,8-9H2,1-2H3,(H,17,18,20).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine?
1-(1,3-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-(1,3-dimethylpyrazol-4-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine is sourced from PubChem (CID 115989437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).