1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine

C15H18N6 — CID 43703054

IUPAC1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cnn(-c2ccccc2)c1)c1nncn1C
InChIInChI=1S/C15H18N6/c1-12(15-19-17-11-20(15)2)16-8-13-9-18-21(10-13)14-6-4-3-5-7-14/h3-7,9-12,16H,8H2,1-2H3
InChIKeySOOQHUUWQPQILR-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.85
Rot. Bonds5

About 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine

1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine (PubChem CID 43703054) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
PubChem CID43703054
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cnn(-c2ccccc2)c1)c1nncn1C
InChIInChI=1S/C15H18N6/c1-12(15-19-17-11-20(15)2)16-8-13-9-18-21(10-13)14-6-4-3-5-7-14/h3-7,9-12,16H,8H2,1-2H3
InChIKeySOOQHUUWQPQILR-UHFFFAOYSA-N
XLogP1.85
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine
CID 62196925
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 62627609
N-[(6-methyl-3-pyridinyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104753454
(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 51683973
(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 120510466
(1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 92854396
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
4-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-2-amine
CID 115640103
2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
CID 43225383
(2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276955
2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid
CID 43631537
N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103746202

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine (CID 43703054) is 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine is CC(NCc1cnn(-c2ccccc2)c1)c1nncn1C.
What is the InChIKey of 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is SOOQHUUWQPQILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-12(15-19-17-11-20(15)2)16-8-13-9-18-21(10-13)14-6-4-3-5-7-14/h3-7,9-12,16H,8H2,1-2H3.
What are the key properties of 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 282.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43703054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).